Geometry & MOs

Info

ID:	262738
PubChem CID:	103313167
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-34.17
Dipole, Da:	3.09
IP(EA), eV:	-9.0(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)NC2CCC3=CC=CC=C3NC2=O

DOS

IR

Vibrations