Geometry & MOs

Info

ID:	188001
PubChem CID:	77652857
Reduced:	ClN4O6C28H29 (1)
Stoich.:	AB4C6D28E29 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-181.44
Dipole, Da:	6.9
IP(EA), eV:	-9.12(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(1-phenylmethoxycarbonylpyrrolidin-3-yl)cyclohexyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1COCCN1CCN(C2=CC=C(C=C2)Cl)C(=O)C(CC(=O)O)NC(=O)C3=CC=C(C=C3)N4C=CC=CC4=O

DOS

IR

Vibrations