Geometry & MOs

Info

ID:	131815
PubChem CID:	51264513
Reduced:	O4N5C15H17 (1)
Stoich.:	A4B5C15D17 (1)
Weight, g/mol:	311.108148
ΔH_f, kcal/mol:	3.21
Dipole, Da:	5.74
IP(EA), eV:	-9.42(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations