Geometry & MOs

Info

ID:	417320
PubChem CID:	135092056
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	329.170354
ΔH_f, kcal/mol:	-136.47
Dipole, Da:	6.56
IP(EA), eV:	-7.88(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(2,5-difluorophenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC2(CC1)C3=C(CCO2)C=CC=C3OC)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations