Geometry & MOs

Info

ID:	340191
PubChem CID:	127262200
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	592.124318
ΔH_f, kcal/mol:	-209.42
Dipole, Da:	4.08
IP(EA), eV:	-10.65(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[4-[bis(2-chloroethyl)carbamoyloxy]phenyl]pentan-3-yl]phenyl] N,N-bis(2-chloroethyl)carbamate

Drug info:

PubChemData

Smile

CC(=O)NC(=O)OC1CCCC(C1)O

DOS

IR

Vibrations