Geometry & MOs

Info

ID:	153269
PubChem CID:	56312438
Reduced:	OF2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	412.227454
ΔH_f, kcal/mol:	-24.05
Dipole, Da:	1.39
IP(EA), eV:	-8.83(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dimethylphenyl)carbamoyl]-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CN3CCCN(CC3)CC4=CC=CC=C4F)F

DOS

IR

Vibrations