Geometry & MOs

Info

ID:	425036
PubChem CID:	135124923
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-93.84
Dipole, Da:	2.53
IP(EA), eV:	-9.24(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-1-acetyl-6-(3-aminophenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamic acid

Drug info:

PubChemData

Smile

CCN1C=C(N=N1)CCC(C2=CC(=C(S2)C)CO)C(C)(C)C(=O)O

DOS

IR

Vibrations