Geometry & MOs

Info

ID:	415888
PubChem CID:	135088890
Reduced:	FO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	5.1
IP(EA), eV:	-9.03(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)F)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4

DOS

IR

Vibrations