Geometry & MOs

Info

ID:	344000
PubChem CID:	127267176
Reduced:	O3N4C15H16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-54.72
Dipole, Da:	3.76
IP(EA), eV:	-8.76(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-(2-methyl-1,3-benzoxazol-4-yl)-1-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CCC1=CN=C(O1)CNC(=O)NC2=C3C(=CC=C2)OC(=N3)C

DOS

IR

Vibrations