Geometry & MOs

Info

ID:	258648
PubChem CID:	103155935
Reduced:	O2N3C5H13 (1)
Stoich.:	A2B3C5D13 (1)
Weight, g/mol:	330.02152
ΔH_f, kcal/mol:	-74.41
Dipole, Da:	3.11
IP(EA), eV:	-9.41(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-3-methoxybutanoyl)amino]-3-bromobenzoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)NN)CN

DOS

IR

Vibrations