Geometry & MOs

Info

ID:	339595
PubChem CID:	127261585
Reduced:	NO3C9H13 (3)
Stoich.:	AB3C9D13 (3)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-420.3
Dipole, Da:	3.46
IP(EA), eV:	-9.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzamidophenyl)methyl hexanoate

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1N(CCCCCC(=O)O)C=O)N(CCCCCC(=O)O)C=O)N(CCCCCC(=O)O)C=O

DOS

IR

Vibrations