Geometry & MOs

Info

ID:	244510
PubChem CID:	99356043
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	383.148121
ΔH_f, kcal/mol:	-19.43
Dipole, Da:	2.22
IP(EA), eV:	-9.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-oxo-3-(pyridin-4-ylamino)propyl]butanamide

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)NCCC(=O)NC3=CC=NC=C3

DOS

IR

Vibrations