Geometry & MOs

Info

ID:	195383
PubChem CID:	78680012
Reduced:	ON5H23C26 (1)
Stoich.:	AB5C23D26 (1)
Weight, g/mol:	407.17461
ΔH_f, kcal/mol:	110.77
Dipole, Da:	6.74
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN(C=C2C=NN3C(=CC(=C(C3=O)C#N)C)C)CC4=CC=CC=C4

DOS

IR

Vibrations