Geometry & MOs

Info

ID:	357535
PubChem CID:	127294198
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-181.1
Dipole, Da:	2.73
IP(EA), eV:	-8.4(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN(C1CCOC1)C(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations