Geometry & MOs

Info

ID:	312679
PubChem CID:	126607290
Reduced:	N3O3C26H31 (1)
Stoich.:	A3B3C26D31 (1)
Weight, g/mol:	433.193632
ΔH_f, kcal/mol:	-37.69
Dipole, Da:	6.12
IP(EA), eV:	-7.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(6,7-dihydro-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(5-phenylthiophen-2-yl)urea

Drug info:

PubChemData

Smile

C=NC1=CC=CC=C1NC2CC(CCN2C3CCC3)CC(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations