Geometry & MOs

Info

ID:	416607
PubChem CID:	135089807
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	409.171417
ΔH_f, kcal/mol:	-92.72
Dipole, Da:	5.66
IP(EA), eV:	-8.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(difluoromethyl)pyrazol-3-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations