Geometry & MOs

Info

ID:	343205
PubChem CID:	127266378
Reduced:	ON2F3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-182.05
Dipole, Da:	1.97
IP(EA), eV:	-9.16(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-methyl-3-nitrophenyl)-1-(1-methylpyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)N2CCC2C(F)(F)F

DOS

IR

Vibrations