Geometry & MOs

Info

ID:	414486
PubChem CID:	135087444
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	386.150954
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	3.25
IP(EA), eV:	-8.32(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)N2C[C@H]([C@@H](C2)O)CC3=NNC(=C3)C)C(=O)N

DOS

IR

Vibrations