Geometry & MOs

Info

ID:	420315
PubChem CID:	135112402
Reduced:	O4N5C28H35 (1)
Stoich.:	A4B5C28D35 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-85.0
Dipole, Da:	4.14
IP(EA), eV:	-8.49(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)CC4=CC=CC=C4

DOS

IR

Vibrations