Geometry & MOs

Info

ID:	421495
PubChem CID:	135116118
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-16.41
Dipole, Da:	1.08
IP(EA), eV:	-8.55(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-oxo-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N2C[C@H]3CN([C@@H](C2)COC3)C)C(C)C

DOS

IR

Vibrations