Geometry & MOs

Info

ID:	182005
PubChem CID:	76827718
Reduced:	O2N5C29H41 (1)
Stoich.:	A2B5C29D41 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-20.7
Dipole, Da:	7.23
IP(EA), eV:	-8.06(-1.22)
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-(furan-3-ylmethyl)indole-5-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC2C(=NNC2=C3C=C4C=CC(=CC4=N3)N(CCCN(C)C)C(=O)CC5CCOCC5)C1)C

DOS

IR

Vibrations