Geometry & MOs

Info

ID:	129848
PubChem CID:	51074043
Reduced:	N2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	97.21
Dipole, Da:	5.05
IP(EA), eV:	-8.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[[methyl(3-methylbutyl)amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CCNCC3=CC(=CC=C3)C#N

DOS

IR

Vibrations