Geometry & MOs

Info

ID:	349846
PubChem CID:	127276238
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-11.52
Dipole, Da:	5.11
IP(EA), eV:	-8.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylphenyl)triazol-4-yl]-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)N4CCCC4CN5CCCCC5

DOS

IR

Vibrations