Geometry & MOs

Info

ID:	14348
PubChem CID:	409883
Reduced:	Cl2N2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	400.147304
ΔH_f, kcal/mol:	45.05
Dipole, Da:	2.37
IP(EA), eV:	-7.96(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(2-chloroethyl)-4-[2-(1,4-dimethyl-2H-quinolin-2-yl)ethenyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(N(C2=CC=CC=C12)C)C=CC3=CC=C(C=C3)N(CCCl)CCCl

DOS

IR

Vibrations