Geometry & MOs

Info

ID:	379282
PubChem CID:	134357016
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-46.23
Dipole, Da:	4.8
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[(1E,3Z)-1,4-diamino-4-(4-methylphenyl)buta-1,3-dienyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(CCCN1CC(=O)NC2=NC=C(C=C2)C3=CC=CC=C3)C=O

DOS

IR

Vibrations