Geometry & MOs

Info

ID:	417181
PubChem CID:	135091583
Reduced:	N3O4C15H23 (1)
Stoich.:	A3B4C15D23 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-164.07
Dipole, Da:	7.36
IP(EA), eV:	-9.55(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)butan-1-one

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)C2=C(N(N=C2)C)C)C(=O)O

DOS

IR

Vibrations