Geometry & MOs

Info

ID:	188213
PubChem CID:	77682179
Reduced:	O3N7C38H51 (1)
Stoich.:	A3B7C38D51 (1)
Weight, g/mol:	430.162348
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	1.25
IP(EA), eV:	-8.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-pent-4-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-(2,6-difluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1CC(CCN1C(=O)C(CC2=CC3=C(C(=C2)C)NN=C3)CC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O)C7CCNCC7

DOS

IR

Vibrations