Geometry & MOs

Info

ID:	423496
PubChem CID:	135119602
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	409.166938
ΔH_f, kcal/mol:	-80.46
Dipole, Da:	7.21
IP(EA), eV:	-8.67(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-1H-indol-2-yl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2)OC

DOS

IR

Vibrations