Geometry & MOs

Info

ID:	423403
PubChem CID:	135119435
Reduced:	ClN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-101.66
Dipole, Da:	7.17
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-propoxyethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C[C@@H]3COC[C@H](C2)NC3=O)Cl

DOS

IR

Vibrations