Geometry & MOs

Info

ID:	182008
PubChem CID:	76827730
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-2.44
Dipole, Da:	4.24
IP(EA), eV:	-8.06(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,6-dimethyl-3a,4,5,7-tetrahydro-2H-indazol-3-ylidene)-N-(1-hydroxy-3-methylbutan-2-yl)-N-methylindole-6-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC2C(=NNC2=C3C=C4C=CC(=CC4=N3)N(C)C(=O)CCOC)C1)C

DOS

IR

Vibrations