Geometry & MOs

Info

ID:	419628
PubChem CID:	135108563
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-21.2
Dipole, Da:	3.95
IP(EA), eV:	-9.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=CC=CN2)O)CC3=NC=CN=C3

DOS

IR

Vibrations