Geometry & MOs

Info

ID:	30560
PubChem CID:	841501
Reduced:	ON3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	48.57
Dipole, Da:	2.9
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]urea

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)/C=C(\C#N)/C(=O)N[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations