Geometry & MOs

Info

ID:	178956
PubChem CID:	76407422
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	-83.42
Dipole, Da:	11.56
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(5-tert-butyl-1H-pyrazol-3-yl)-6-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CNNC2C3CCN(CC3)C(=O)C4=CC(=O)C(=CO4)OC

DOS

IR

Vibrations