Geometry & MOs

Info

ID:	84645
PubChem CID:	49869034
Reduced:	N4O13C40H76 (1)
Stoich.:	A4B13C40D76 (1)
Weight, g/mol:	293.152812
ΔH_f, kcal/mol:	-642.76
Dipole, Da:	4.79
IP(EA), eV:	-8.76(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(3-methoxyphenyl)phenyl]-2,5-dimethylimidazol-4-amine

Drug info:

Smile

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)OC(=O)NNC)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O

DOS

IR

Vibrations