Geometry & MOs

Info

ID:	154862
PubChem CID:	56314405
Reduced:	FOSN2C19H29 (1)
Stoich.:	ABCD2E19F29 (1)
Weight, g/mol:	391.263506
ΔH_f, kcal/mol:	-93.76
Dipole, Da:	1.75
IP(EA), eV:	-8.72(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)CCSCC(=O)N1CCCN(CC1)CC2=CC=CC=C2F

DOS

IR

Vibrations