Geometry & MOs

Info

ID:	134839
PubChem CID:	51766333
Reduced:	N2O2C23H36 (1)
Stoich.:	A2B2C23D36 (1)
Weight, g/mol:	340.308979
ΔH_f, kcal/mol:	-105.0
Dipole, Da:	7.35
IP(EA), eV:	-9.16(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-butyl-2-[hexyl(propanoyl)amino]heptanamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](/C=C\C)C(=O)NC(C)(C)C)C(=O)CC1=CC=CC=C1

DOS

IR

Vibrations