Geometry & MOs

Info

ID:	182007
PubChem CID:	76827729
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	34.74
Dipole, Da:	3.76
IP(EA), eV:	-8.01(-1.22)
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]-3-methoxy-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1(CCC2C(=NNC2=C3C=C4C=CC(=CC4=N3)N5CCCCC5=O)C1)C

DOS

IR

Vibrations