Geometry & MOs

Info

ID:	122186
PubChem CID:	50797231
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	401.158685
ΔH_f, kcal/mol:	-92.47
Dipole, Da:	7.59
IP(EA), eV:	-8.62(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)-3-(3,4,5-trimethoxyphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)NC2=CC3=C(C=C2)N(C(=O)O3)C(C)C)C

DOS

IR

Vibrations