Geometry & MOs

Info

ID:	196921
PubChem CID:	78896110
Reduced:	F2O2N5C20H31 (1)
Stoich.:	A2B2C5D20E31 (1)
Weight, g/mol:	425.187005
ΔH_f, kcal/mol:	-185.41
Dipole, Da:	2.02
IP(EA), eV:	-9.42(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CN(CC1=NC=CN1C(F)F)CC(=O)NC2CCN(CC2)C(=O)C3CCCCC3

DOS

IR

Vibrations