Geometry & MOs

Info

ID:	233495
PubChem CID:	90944869
Reduced:	ON3H21C23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	318.090183
ΔH_f, kcal/mol:	65.49
Dipole, Da:	0.9
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[bis(2-chloroethyl)amino]phenyl]propylcarbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=O)N2CCCN2C3=C(C4=CC=CC=C4C=C3)C#N

DOS

IR

Vibrations