Geometry & MOs

Info

ID:	312666
PubChem CID:	126607244
Reduced:	NO3C28H41 (1)
Stoich.:	AB3C28D41 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-167.04
Dipole, Da:	3.46
IP(EA), eV:	-8.69(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,3S)-3-(1H-benzimidazol-2-yl)-4-ethylcyclohexyl]-3-(4-methoxyphenyl)urea

Drug info:

PubChemData

Smile

CCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)OC(=O)CCCC4CCC(CC4)N

DOS

IR

Vibrations