Geometry & MOs

Info

ID:	140589
PubChem CID:	52726271
Reduced:	ON2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	408.181585
ΔH_f, kcal/mol:	-15.15
Dipole, Da:	6.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.206924
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-(dimethylamino)ethyl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations