Geometry & MOs

Info

ID:	175263
PubChem CID:	75875715
Reduced:	SN2O4C23H34 (1)
Stoich.:	AB2C4D23E34 (1)
Weight, g/mol:	350.231791
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	8.14
IP(EA), eV:	-8.72(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylamino)-4-methylpentyl]-3-(2-methyl-5-nitrophenyl)urea

Drug info:

PubChemData

Smile

CCN(CC)C(CC1=CC=CC=C1)CNS(=O)(=O)C2=CC(=C(C=C2)OCCOC)C

DOS

IR

Vibrations