Geometry & MOs

Info

ID:	347054
PubChem CID:	127271558
Reduced:	OSF2N6C14H18 (1)
Stoich.:	ABC2D6E14F18 (1)
Weight, g/mol:	274.124132
ΔH_f, kcal/mol:	-67.38
Dipole, Da:	3.02
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CSC=N2)C(=O)NCC3=NC=CN3C(F)F

DOS

IR

Vibrations