Geometry & MOs

Info

ID:	258504
PubChem CID:	103154563
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	358.05282
ΔH_f, kcal/mol:	-110.94
Dipole, Da:	5.12
IP(EA), eV:	-9.19(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4-amino-3-methoxybutanoyl)amino]-3-bromobenzoate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)NC(=O)CC(CN)OC

DOS

IR

Vibrations