Geometry & MOs

Info

ID:	195382
PubChem CID:	78680011
Reduced:	N3O7C17H17 (1)
Stoich.:	A3B7C17D17 (1)
Weight, g/mol:	421.19026
ΔH_f, kcal/mol:	-158.32
Dipole, Da:	0.71
IP(EA), eV:	-9.8(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)NC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations