Geometry & MOs

Info

ID:	181930
PubChem CID:	76815046
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-78.32
Dipole, Da:	4.07
IP(EA), eV:	-8.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(oxan-4-ylmethyl)-6-phenoxybenzimidazol-2-yl]methylamino]propanamide

Drug info:

PubChemData

Smile

CCOCCN1C2=C(C=CC(=C2)OC3=CC4=C(CCC4)C=C3)N=C1CNC(C)C(=O)N

DOS

IR

Vibrations