Geometry & MOs

Info

ID:	417073
PubChem CID:	135091252
Reduced:	SO5N6C31H38 (1)
Stoich.:	AB5C6D31E38 (1)
Weight, g/mol:	311.144533
ΔH_f, kcal/mol:	-147.85
Dipole, Da:	10.05
IP(EA), eV:	-9.35(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(difluoromethoxy)phenyl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)C2=CC3=C(C=C2)N=CS3)CC4=CC=CC=C4)C)C(C)C

DOS

IR

Vibrations