Geometry & MOs

Info

ID:	344001
PubChem CID:	127267177
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	19.3
Dipole, Da:	3.5
IP(EA), eV:	-9.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-methyl-1,3-benzoxazol-4-yl)-1-(2-pyrazin-2-ylethyl)urea

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2O1)NC(=O)N(CC3=CC=NC=C3)C4CC4

DOS

IR

Vibrations