Geometry & MOs

Info

ID:	344061
PubChem CID:	127267237
Reduced:	OF2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	-51.23
Dipole, Da:	6.99
IP(EA), eV:	-9.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC(=CC(=C2)F)F)NC(=O)NCC3(CC3)N(C)C

DOS

IR

Vibrations