Geometry & MOs

Info

ID:	191920
PubChem CID:	78201829
Reduced:	O4N5C22H31 (1)
Stoich.:	A4B5C22D31 (1)
Weight, g/mol:	468.284889
ΔH_f, kcal/mol:	-109.86
Dipole, Da:	4.94
IP(EA), eV:	-8.95(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[[benzyl-[(6-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC(COC4=CC=CC=C4)O

DOS

IR

Vibrations