Geometry & MOs

Info

ID:	196528
PubChem CID:	78844050
Reduced:	ON3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	433.197712
ΔH_f, kcal/mol:	-63.86
Dipole, Da:	3.09
IP(EA), eV:	-8.8(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-[1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N(C)C(C)C

DOS

IR

Vibrations