Geometry & MOs

Info

ID:	327716
PubChem CID:	126690875
Reduced:	ClIN2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	32.21
Dipole, Da:	4.84
IP(EA), eV:	-9.34(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4aR,5R)-7-hydroxy-1,5-dimethyl-2,3,4,5,10,10a-hexahydrobenzo[g]quinolin-4a-yl]-methylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=C(NC(N=C1)Cl)CI

DOS

IR

Vibrations