Geometry & MOs

Info

ID:	365754
PubChem CID:	127318479
Reduced:	O3N4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	365.129694
ΔH_f, kcal/mol:	-95.36
Dipole, Da:	5.89
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3=CC(=NO3)C(C)C

DOS

IR

Vibrations