Geometry & MOs

Info

ID:	350782
PubChem CID:	127279070
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-62.46
Dipole, Da:	4.35
IP(EA), eV:	-9.22(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)CC2CCC=C2)C

DOS

IR

Vibrations