Geometry & MOs

Info

ID:	421265
PubChem CID:	135115666
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	415.237211
ΔH_f, kcal/mol:	-156.3
Dipole, Da:	8.9
IP(EA), eV:	-9.13(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)S(=O)(=O)C)OCC2

DOS

IR

Vibrations