Geometry & MOs

Info

ID:	422275
PubChem CID:	135117544
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	359.210996
ΔH_f, kcal/mol:	-44.97
Dipole, Da:	6.31
IP(EA), eV:	-8.47(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NCC2(CCCC2)N(C)C)C(=O)N

DOS

IR

Vibrations