Geometry & MOs

Info

ID:	344050
PubChem CID:	127267226
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	311.148121
ΔH_f, kcal/mol:	-0.59
Dipole, Da:	3.91
IP(EA), eV:	-9.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dimethoxybutan-2-yl)-3-(2-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

CCCC1=NN(C(=C1)NC(=O)NN2CC3=CC=CC=C3C2=O)C

DOS

IR

Vibrations