Geometry & MOs

Info

ID:	75506
PubChem CID:	48423569
Reduced:	ClFN2O3C20H28 (1)
Stoich.:	ABC2D3E20F28 (1)
Weight, g/mol:	398.181727
ΔH_f, kcal/mol:	-154.05
Dipole, Da:	2.46
IP(EA), eV:	-9.05(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(CNC(=O)C(C)OCC2CC2)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations