Geometry & MOs

Info

ID:	416895
PubChem CID:	135090738
Reduced:	NO3C7H7 (2)
Stoich.:	AB3C7D7 (2)
Weight, g/mol:	370.156039
ΔH_f, kcal/mol:	-205.48
Dipole, Da:	4.16
IP(EA), eV:	-9.76(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations