Geometry & MOs

Info

ID:	186738
PubChem CID:	77476500
Reduced:	ClO2N4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	380.257612
ΔH_f, kcal/mol:	4.7
Dipole, Da:	4.12
IP(EA), eV:	-9.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,6-dimethyl-3a,4,5,7-tetrahydro-2H-indazol-3-ylidene)-6,7-dihydroindol-5-yl]-N,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC(=C)C1=C(NC=N1)C=C2C(=O)NC(=CC3=CC=CC=C3Cl)C(=O)N2

DOS

IR

Vibrations