Geometry & MOs

Info

ID:	344031
PubChem CID:	127267207
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-46.34
Dipole, Da:	3.36
IP(EA), eV:	-9.14(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(3-methyl-1,2-benzoxazol-6-yl)-1-(2-pyrazin-2-ylethyl)urea

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=CC(=C2)NC(=O)NC(CCCO)C3=CC=CC=C3

DOS

IR

Vibrations