Geometry & MOs

Info

ID:	233949
PubChem CID:	92297409
Reduced:	O5C24H24 (1)
Stoich.:	A5B24C24 (1)
Weight, g/mol:	271.072369
ΔH_f, kcal/mol:	-124.65
Dipole, Da:	1.84
IP(EA), eV:	-8.44(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-[(1S)-1-(3-nitrophenyl)ethyl]urea

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC4=C(C=C3OCCO)OCO4

DOS

IR

Vibrations