Geometry & MOs

Info

ID:	417062
PubChem CID:	135091240
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-50.46
Dipole, Da:	9.13
IP(EA), eV:	-9.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CCC3=C(N4C(=NC=N4)N=C3C)C)O

DOS

IR

Vibrations