Geometry & MOs

Info

ID:	123814
PubChem CID:	50862639
Reduced:	BrN2C23H29 (1)
Stoich.:	AB2C23D29 (1)
Weight, g/mol:	473.213698
ΔH_f, kcal/mol:	25.83
Dipole, Da:	7.09
IP(EA), eV:	-7.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-nitrophenyl)sulfanylphenyl]-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)C=NC3=C(C=C(C=C3)Br)C)C(CC1(C)C)C

DOS

IR

Vibrations