Geometry & MOs

Info

ID:	343143
PubChem CID:	127266316
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	299.108148
ΔH_f, kcal/mol:	-35.69
Dipole, Da:	1.68
IP(EA), eV:	-8.67(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropyl-2,2-difluoroethyl)-3-(2-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)NC(=O)NC2CCC(CC2)NC3=CC=CC=N3

DOS

IR

Vibrations