Geometry & MOs

Info

ID:	218408
PubChem CID:	85089401
Reduced:	O2N3H29C30 (1)
Stoich.:	A2B3C29D30 (1)
Weight, g/mol:	469.284161
ΔH_f, kcal/mol:	25.76
Dipole, Da:	6.47
IP(EA), eV:	-9.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl(phenyl)methylidene]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3

DOS

IR

Vibrations