Geometry & MOs

Info

ID:	48104
PubChem CID:	10537171
Reduced:	NO2H11C14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-2.77
Dipole, Da:	1.84
IP(EA), eV:	-9.67(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4S,9aS)-1-formyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC=N2

DOS

IR

Vibrations