Geometry & MOs

Info

ID:	14753
PubChem CID:	419560
Reduced:	OBr2Cl2N2C18H18 (1)
Stoich.:	AB2C2D2E18F18 (1)
Weight, g/mol:	507.91424
ΔH_f, kcal/mol:	-1.4
Dipole, Da:	3.07
IP(EA), eV:	-8.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2,6-dibromophenol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC(=C(C(=C2)Br)O)Br

DOS

IR

Vibrations