Geometry & MOs

Info

ID:	123840
PubChem CID:	50863010
Reduced:	ClSN2O2C23H31 (1)
Stoich.:	ABC2D2E23F31 (1)
Weight, g/mol:	410.248877
ΔH_f, kcal/mol:	-111.86
Dipole, Da:	7.33
IP(EA), eV:	-8.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-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)C(C)CC)C(CC1(C)C)C

DOS

IR

Vibrations