Geometry & MOs

Info

ID:	323525
PubChem CID:	126675213
Reduced:	ISO2N3C26H30 (1)
Stoich.:	ABC2D3E26F30 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	11.12
Dipole, Da:	6.22
IP(EA), eV:	-8.39(-2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(cyclopropylamino)ethenyl]-1-[[3-(ethylideneamino)-2-methylphenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC/C=C(/C1=CC(=CN(C1=O)CC2=CC=CC(=C2C(=C=CSI)C)C)C(=O)NC3CC3)\NC

DOS

IR

Vibrations