Geometry & MOs

Info

ID:	43474
PubChem CID:	10321355
Reduced:	N2O4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	-113.31
Dipole, Da:	10.57
IP(EA), eV:	-8.82(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]-1-(6-methoxyquinolin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)CCCN(C)C

DOS

IR

Vibrations