Geometry & MOs

Info

ID:	418994
PubChem CID:	135107288
Reduced:	N3O5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-150.03
Dipole, Da:	6.24
IP(EA), eV:	-9.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-hydroxyethyl(methyl)amino]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1CCC(=O)N3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations