Geometry & MOs

Info

ID:	145730
PubChem CID:	53583208
Reduced:	ClO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-2.61
Dipole, Da:	8.65
IP(EA), eV:	-9.78(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-chlorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations