Geometry & MOs

Info

ID:	23432
PubChem CID:	603479
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-16.84
Dipole, Da:	7.01
IP(EA), eV:	-9.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-2,8-dimethylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CC(=NNC(=O)C2=CC3=CC=CC(=C3N=C2C)C)C

DOS

IR

Vibrations