Geometry & MOs

Info

ID:	258535
PubChem CID:	103154786
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	331.01677
ΔH_f, kcal/mol:	-153.56
Dipole, Da:	3.61
IP(EA), eV:	-9.46(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(4-bromo-2-nitrophenyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)CC(CN)OC

DOS

IR

Vibrations