Geometry & MOs

Info

ID:	241016
PubChem CID:	93621189
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-104.94
Dipole, Da:	6.98
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxopyridin-1-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(C[C@H]2NC(=O)C3=CC(=O)N(C=C3)C)(C)C

DOS

IR

Vibrations