Geometry & MOs

Info

ID:	357187
PubChem CID:	127293691
Reduced:	NSO4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-107.41
Dipole, Da:	6.98
IP(EA), eV:	-9.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CN(C1)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations