Geometry & MOs

Info

ID:	258807
PubChem CID:	103157086
Reduced:	ClNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	330.02152
ΔH_f, kcal/mol:	-97.68
Dipole, Da:	2.87
IP(EA), eV:	-8.22(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-amino-5-bromobenzoyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NCC(CC2CCCC2)O

DOS

IR

Vibrations