Geometry & MOs

Info

ID:	36416
PubChem CID:	8006237
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	380.03717
ΔH_f, kcal/mol:	-107.82
Dipole, Da:	2.32
IP(EA), eV:	-8.56(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3)C

DOS

IR

Vibrations