Geometry & MOs

Info

ID:	419850
PubChem CID:	135109376
Reduced:	ON5C27H33 (1)
Stoich.:	AB5C27D33 (1)
Weight, g/mol:	357.132471
ΔH_f, kcal/mol:	20.72
Dipole, Da:	4.32
IP(EA), eV:	-8.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC(=NC=C2)NC3CCN(CC3)CC4=CC=C(C=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations