Geometry & MOs

Info

ID:	44095
PubChem CID:	10500684
Reduced:	ClFN3O3C19H19 (1)
Stoich.:	ABC3D3E19F19 (1)
Weight, g/mol:	391.108754
ΔH_f, kcal/mol:	-97.94
Dipole, Da:	8.61
IP(EA), eV:	-9.07(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(4-chlorophenyl)methyl]-3-ethoxy-1-oxo-2,5-dihydroazepino[3,4-b]indole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C(=C(C=C1)F)[C@H]2C[C@H]2NC(=O)NC3=NC=C(C=C3)Cl)OC

DOS

IR

Vibrations