Geometry & MOs

Info

ID:	137887
PubChem CID:	52279636
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	386.219215
ΔH_f, kcal/mol:	-80.21
Dipole, Da:	6.43
IP(EA), eV:	-7.97(0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-[[[6-(diethylamino)pyridin-1-ium-3-yl]carbamoylamino]methyl]phenyl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC(=O)N2CCC(CC2)CC(=O)N

DOS

IR

Vibrations