Geometry & MOs

Info

ID:	338819
PubChem CID:	127259830
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	393.126234
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	2.79
IP(EA), eV:	-8.78(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[bis(2-chloroethyl)amino]phenyl]methyl 4-phenylbutanoate

Drug info:

PubChemData

Smile

CCN(CC)CC(C1=CC=CC=C1)OC(=O)CCCC2=CC=CC=C2

DOS

IR

Vibrations