Geometry & MOs

Info

ID:	9483
PubChem CID:	89933
Reduced:	NBr2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	440.9762
ΔH_f, kcal/mol:	-43.42
Dipole, Da:	5.88
IP(EA), eV:	-8.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[bis(2-bromoethyl)amino]phenyl] 3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr

DOS

IR

Vibrations