Geometry & MOs

Info

ID:	73909
PubChem CID:	48421046
Reduced:	NOC5H8 (4)
Stoich.:	ABC5D8 (4)
Weight, g/mol:	321.132471
ΔH_f, kcal/mol:	-165.46
Dipole, Da:	4.74
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-[(4-nitrophenyl)carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)NC2=C(N=CC=C2)OCC

DOS

IR

Vibrations