Geometry & MOs

Info

ID:	198790
PubChem CID:	79151459
Reduced:	FON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-53.32
Dipole, Da:	2.11
IP(EA), eV:	-8.77(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamothioylphenyl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)O)CNC2=CC(=C(C=C2)F)C

DOS

IR

Vibrations