Geometry & MOs

Info

ID:	84849
PubChem CID:	49870321
Reduced:	NO2C15H19 (2)
Stoich.:	AB2C15D19 (2)
Weight, g/mol:	417.185255
ΔH_f, kcal/mol:	-117.32
Dipole, Da:	1.93
IP(EA), eV:	-9.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-fluorophenyl)methoxy]-1-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C#CC(C)(C)C(=O)N(C)C)N2CC[C@](OC2=O)(CC(C)(C)O)C3=CC=CC=C3

DOS

IR

Vibrations