Geometry & MOs

Info

ID:	419406
PubChem CID:	135108125
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	377.171497
ΔH_f, kcal/mol:	-105.25
Dipole, Da:	5.14
IP(EA), eV:	-8.83(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=NC=C1)N(C)CC(COC)O

DOS

IR

Vibrations