Geometry & MOs

Info

ID:	293037
PubChem CID:	117370804
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-16.1
Dipole, Da:	2.59
IP(EA), eV:	-8.65(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(3-amino-2-methyl-1H-pyrazol-5-ylidene)-4-methoxy-2,3-dimethylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=C(C=CC(=C2)OC)COC)N

DOS

IR

Vibrations