Geometry & MOs

Info

ID:	159530
PubChem CID:	57288422
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-37.91
Dipole, Da:	5.26
IP(EA), eV:	-9.87(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-(2,3-dihydro-1H-isoindole-1-carbonylamino)-3-(1H-imidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C(=O)N)C2(C=CC=N2)CCO

DOS

IR

Vibrations