Geometry & MOs

Info

ID:	417340
PubChem CID:	135092437
Reduced:	O2N3F6H15C16 (1)
Stoich.:	A2B3C6D15E16 (1)
Weight, g/mol:	373.226646
ΔH_f, kcal/mol:	-360.37
Dipole, Da:	4.42
IP(EA), eV:	-9.59(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(1-ethylimidazol-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations