Geometry & MOs

Info

ID:	415592
PubChem CID:	135088590
Reduced:	FSN4O4C16H21 (1)
Stoich.:	ABC4D4E16F21 (1)
Weight, g/mol:	357.172024
ΔH_f, kcal/mol:	-158.62
Dipole, Da:	10.05
IP(EA), eV:	-9.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(5-chloro-6-methylpyridin-2-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=C2F)C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)C=C1

DOS

IR

Vibrations