Geometry & MOs

Info

ID:	205528
PubChem CID:	80117461
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-135.22
Dipole, Da:	2.57
IP(EA), eV:	-8.07(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(4-butan-2-ylphenyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)C(=O)OC)OC(C)(C)C

DOS

IR

Vibrations