Geometry & MOs

Info

ID:	416832
PubChem CID:	135090521
Reduced:	ClNSO3C16H22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	413.210327
ΔH_f, kcal/mol:	-140.99
Dipole, Da:	3.81
IP(EA), eV:	-9.43(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methoxyphenyl)phenyl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@]3(C2)CCC[C@H]3O)Cl

DOS

IR

Vibrations