Geometry & MOs

Info

ID:	153300
PubChem CID:	56312479
Reduced:	FN2O2C23H25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	410.236956
ΔH_f, kcal/mol:	-69.98
Dipole, Da:	3.63
IP(EA), eV:	-8.82(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=C(O2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F)C

DOS

IR

Vibrations