Geometry & MOs

Info

ID:	36528
PubChem CID:	8008040
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-79.38
Dipole, Da:	2.46
IP(EA), eV:	-8.68(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[(1R,2S)-2-[(3-methylphenyl)carbamoylamino]cyclohexyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)NC3=CC=CC(=C3)C

DOS

IR

Vibrations