Geometry & MOs

Info

ID:	414893
PubChem CID:	135087865
Reduced:	OSN4C15H22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	3.17
Dipole, Da:	5.07
IP(EA), eV:	-8.71(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylpyrazol-1-yl)-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)CC2=CSC=C2

DOS

IR

Vibrations