Geometry & MOs

Info

ID:	240961
PubChem CID:	93618439
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-37.5
Dipole, Da:	5.83
IP(EA), eV:	-9.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(dimethylamino)-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)C2=CC=C(C=C2)CN3C=CN=C3

DOS

IR

Vibrations