Geometry & MOs

Info

ID:	137888
PubChem CID:	52279637
Reduced:	O3N5C20H28 (1)
Stoich.:	A3B5C20D28 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-84.17
Dipole, Da:	4.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.934062
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=[NH+]C=C(C=C1)NC(=O)NCC2=CC(=CC=C2)NC(=O)COC

DOS

IR

Vibrations