Geometry & MOs

Info

ID:	426492
PubChem CID:	135144432
Reduced:	N2C10H13 (2)
Stoich.:	A2B10C13 (2)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	68.28
Dipole, Da:	4.99
IP(EA), eV:	-8.2(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxy-N-methylanilino)methyl]-4-(4-methylpiperazin-1-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NCC2=C(C=CC(=C2)C(CCN)N(C)C)C#N

DOS

IR

Vibrations