Geometry & MOs

Info

ID:	182010
PubChem CID:	76827860
Reduced:	O3N4C24H32 (1)
Stoich.:	A3B4C24D32 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-56.31
Dipole, Da:	7.88
IP(EA), eV:	-8.2(-1.38)
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)indol-6-yl]-2-methoxy-N,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC(C)OC(CO)C(=O)N(C)C1=CC2=NC(=C3C4CCC(CC4=NN3)(C)C)C=C2C=C1

DOS

IR

Vibrations