Geometry & MOs

Info

ID:	225300
PubChem CID:	85756451
Reduced:	N7O10C28H43 (1)
Stoich.:	A7B10C28D43 (1)
Weight, g/mol:	304.096026
ΔH_f, kcal/mol:	-394.59
Dipole, Da:	7.37
IP(EA), eV:	-10.03(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyanophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC(CO)C(=O)NC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)N)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C

DOS

IR

Vibrations