Geometry & MOs

Info

ID:	59651
PubChem CID:	24891513
Reduced:	ClOF3N4H16C17 (1)
Stoich.:	ABC3D4E16F17 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-150.75
Dipole, Da:	7.45
IP(EA), eV:	-9.31(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-(4-benzhydrylpiperazine-1-carbonyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)CC(C)C(F)(F)F

DOS

IR

Vibrations