Geometry & MOs

Info

ID:	74923
PubChem CID:	48422702
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-131.28
Dipole, Da:	1.57
IP(EA), eV:	-8.73(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations