Geometry & MOs

Info

ID:	438535
PubChem CID:	135228278
Reduced:	N6H16C19 (1)
Stoich.:	A6B16C19 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	140.38
Dipole, Da:	4.41
IP(EA), eV:	-8.86(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-amino-3-oxopropyl)phenyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C2=C3CC4=C(N=NN4C5=CC=CC=C5N3C=N2)C

DOS

IR

Vibrations