Geometry & MOs

Info

ID:	29377
PubChem CID:	833433
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	302.145285
ΔH_f, kcal/mol:	-116.63
Dipole, Da:	2.11
IP(EA), eV:	-8.83(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-quinoline-1-carbothioyl)cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C=C

DOS

IR

Vibrations