Geometry & MOs

Info

ID:	198152
PubChem CID:	79058592
Reduced:	N4C17H32 (1)
Stoich.:	A4B17C32 (1)
Weight, g/mol:	292.226312
ΔH_f, kcal/mol:	-0.02
Dipole, Da:	4.4
IP(EA), eV:	-8.07(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-pyrrolidin-1-ylpentan-2-one

Drug info:

PubChemData

Smile

CCCNC(C1=C(N=CC=C1)N)C(C)(CC)N(CC)CC

DOS

IR

Vibrations