Geometry & MOs

Info

ID:	152105
PubChem CID:	56310963
Reduced:	SN3O3H21C22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	-35.74
Dipole, Da:	5.31
IP(EA), eV:	-8.37(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2CN1CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations