Geometry & MOs

Info

ID:	37670
PubChem CID:	8023009
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	5.64
IP(EA), eV:	-8.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-[(pyridin-2-ylamino)methylidene]pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=C(C=C(C=C3)OC)OC)/C(=N2)C

DOS

IR

Vibrations