Geometry & MOs

Info

ID:	344107
PubChem CID:	127267283
Reduced:	FO2N4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	297.132471
ΔH_f, kcal/mol:	-112.97
Dipole, Da:	4.07
IP(EA), eV:	-8.88(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dimethoxypropan-2-yl)-3-(2-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

CN(C)CC1COC2(CCCC2)CN1C(=O)NC3=NC=C(C=C3)F

DOS

IR

Vibrations