Geometry & MOs

Info

ID:	327849
PubChem CID:	126691159
Reduced:	ClON5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	42.23
Dipole, Da:	7.18
IP(EA), eV:	-9.02(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)-2-propylbutanediamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Cl)CC5=NN(C=C5)C

DOS

IR

Vibrations