Geometry & MOs

Info

ID:	423094
PubChem CID:	135118937
Reduced:	ClNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	378.241962
ΔH_f, kcal/mol:	-158.69
Dipole, Da:	7.76
IP(EA), eV:	-8.91(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pentyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)CN2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O)Cl

DOS

IR

Vibrations