Geometry & MOs

Info

ID:	435439
PubChem CID:	135191469
Reduced:	ON3C11H23 (1)
Stoich.:	AB3C11D23 (1)
Weight, g/mol:	478.157638
ΔH_f, kcal/mol:	-37.59
Dipole, Da:	1.19
IP(EA), eV:	-8.52(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzamidomethyl)-N-[5-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]pyridin-2-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC/C=C(/CNCC1COCCN1)\NC

DOS

IR

Vibrations