Geometry & MOs

Info

ID:	123871
PubChem CID:	50863431
Reduced:	SCl2N3O3C27H29 (1)
Stoich.:	AB2C3D3E27F29 (1)
Weight, g/mol:	398.176106
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	11.79
IP(EA), eV:	-8.47(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N(C(=O)S3)CC(=O)NC4=CC=C(C=C4)Cl)C(CC1(C)C)C

DOS

IR

Vibrations