Geometry & MOs

Info

ID:	420760
PubChem CID:	135114774
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-25.42
Dipole, Da:	8.79
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=NC(=CN=C3)C(=O)N4CCCC4

DOS

IR

Vibrations