Geometry & MOs

Info

ID:	419713
PubChem CID:	135108808
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-172.85
Dipole, Da:	5.55
IP(EA), eV:	-9.1(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCCN2CC[C@H]([C@H](C2)C(=O)O)O)C

DOS

IR

Vibrations