Geometry & MOs

Info

ID:	344042
PubChem CID:	127267218
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	263.090606
ΔH_f, kcal/mol:	-97.79
Dipole, Da:	1.97
IP(EA), eV:	-9.09(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxybut-2-ynyl)-3-(2-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)NN(C)C(=O)OC

DOS

IR

Vibrations