Geometry & MOs

Info

ID:	135094
PubChem CID:	51813602
Reduced:	NOC9H18 (2)
Stoich.:	ABC9D18 (2)
Weight, g/mol:	312.277678
ΔH_f, kcal/mol:	-159.78
Dipole, Da:	1.92
IP(EA), eV:	-9.32(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[butanoyl(propyl)amino]-N-butyl-3-ethylpentanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C(CC)CC)N(CCC)C(=O)CCC

DOS

IR

Vibrations