Geometry & MOs

Info

ID:	343212
PubChem CID:	127266385
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	306.107653
ΔH_f, kcal/mol:	-127.18
Dipole, Da:	3.67
IP(EA), eV:	-9.2(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethyl-5-oxo-1,2,4-triazol-4-yl)-3-(2-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)N2CCCC2(COC)C(=O)NC

DOS

IR

Vibrations