Geometry & MOs

Info

ID:	244685
PubChem CID:	99376401
Reduced:	O3N6C25H28 (1)
Stoich.:	A3B6C25D28 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-32.28
Dipole, Da:	5.19
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)NCCC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations