Geometry & MOs

Info

ID:	207228
PubChem CID:	80362416
Reduced:	ON6C8H8 (1)
Stoich.:	AB6C8D8 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	78.91
Dipole, Da:	6.94
IP(EA), eV:	-9.18(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2=NNN=N2

DOS

IR

Vibrations