Geometry & MOs

Info

ID:	344019
PubChem CID:	127267195
Reduced:	O3N6C16H20 (1)
Stoich.:	A3B6C16D20 (1)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	4.88
IP(EA), eV:	-8.79(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxyethyl(methyl)amino]-3-(2-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C(CO)CO)C=CC(=C2)NC(=O)NC3=CC=NN3C

DOS

IR

Vibrations