Geometry & MOs

Info

ID:	121257
PubChem CID:	50760522
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-29.95
Dipole, Da:	2.12
IP(EA), eV:	-9.0(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-formylpiperazin-1-yl)-(2-methylanilino)methylidene]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N=C(NC2=CC=CC=C2C)N3CCN(CC3)C=O)C

DOS

IR

Vibrations