Geometry & MOs

Info

ID:	65379
PubChem CID:	29214821
Reduced:	OSN9C23H31 (1)
Stoich.:	ABC9D23E31 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	86.28
Dipole, Da:	6.11
IP(EA), eV:	-8.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)triazol-1-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC(=O)N[C@@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations