Geometry & MOs

Info

ID:	172161
PubChem CID:	75472985
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	327.114983
ΔH_f, kcal/mol:	18.1
Dipole, Da:	4.53
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-chloro-4-fluorophenyl)ethylcarbamoylamino]-N-(cyclopropylmethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NC=CC(=N1)N2CCCC2CC(=O)C3=CN(N=C3)C

DOS

IR

Vibrations