Geometry & MOs

Info

ID:	422944
PubChem CID:	135118662
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	-74.81
Dipole, Da:	2.82
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CCN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations