Geometry & MOs

Info

ID:	129913
PubChem CID:	51074267
Reduced:	FON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	303.155847
ΔH_f, kcal/mol:	-65.8
Dipole, Da:	0.86
IP(EA), eV:	-8.41(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Drug info:

PubChemData

Smile

COCCN1CCN(CC1)CC2=CC=CC=C2F

DOS

IR

Vibrations