Geometry & MOs

Info

ID:	422472
PubChem CID:	135117892
Reduced:	O6N7C37H49 (1)
Stoich.:	A6B7C37D49 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-202.51
Dipole, Da:	6.75
IP(EA), eV:	-8.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]morpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC=CC=C3C4=NC=CN4

DOS

IR

Vibrations