Geometry & MOs

Info

ID:	414632
PubChem CID:	135087591
Reduced:	ClNO4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-178.98
Dipole, Da:	4.55
IP(EA), eV:	-9.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)CCOC2=CC=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations