Geometry & MOs

Info

ID:	281157
PubChem CID:	103910909
Reduced:	NSO2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-18.94
Dipole, Da:	3.67
IP(EA), eV:	-8.81(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2CC2)NCC(C3=CSC=C3)O

DOS

IR

Vibrations