Geometry & MOs

Info

ID:	320019
PubChem CID:	126657891
Reduced:	O2N4C21H38 (1)
Stoich.:	A2B4C21D38 (1)
Weight, g/mol:	421.225308
ΔH_f, kcal/mol:	-101.73
Dipole, Da:	2.39
IP(EA), eV:	-8.6(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1'-benzylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxylate

Drug info:

PubChemData

Smile

CCCN1C[C@H](C[C@H]2[C@H]1CC(=C)C(=O)C2)NC(=O)N(CCC)CCN(C)C

DOS

IR

Vibrations