Geometry & MOs

Info

ID:	14999
PubChem CID:	426661
Reduced:	Cl3N4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	448.09883
ΔH_f, kcal/mol:	54.98
Dipole, Da:	6.64
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N,N-bis(2-chloroethyl)-4-[[5-methyl-2-(2-methylimidazol-1-yl)phenyl]iminomethyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CN=C2C)N=CC3=C(C=C(C=C3)N(CCCl)CCCl)Cl

DOS

IR

Vibrations