Geometry & MOs

Info

ID:	167165
PubChem CID:	74789544
Reduced:	BClNO2C14H19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	494.244367
ΔH_f, kcal/mol:	-143.89
Dipole, Da:	4.99
IP(EA), eV:	-9.13(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 1-(naphthalen-2-ylmethyl)-2-oxo-8-(quinolin-7-ylmethyl)-1-aza-8-azoniaspiro[4.5]decane-4-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=NC=C(C=C2C)Cl

DOS

IR

Vibrations