Geometry & MOs

Info

ID:	162397
PubChem CID:	57394546
Reduced:	N2O2C21H32 (1)
Stoich.:	A2B2C21D32 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	6.27
IP(EA), eV:	-8.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-pyrrolidin-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CCCN(CC)CCCC(=O)C1=CC2=C(CCN(CC2)C(=O)C)C=C1

DOS

IR

Vibrations