Geometry & MOs

Info

ID:	126321
PubChem CID:	50959384
Reduced:	N3C9H10 (2)
Stoich.:	A3B9C10 (2)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	112.03
Dipole, Da:	6.49
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]-3-oxopropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=CC=C2)NCC3(CC3)CN4C=CN=C4

DOS

IR

Vibrations