Geometry & MOs

Info

ID:	349832
PubChem CID:	127276224
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-85.28
Dipole, Da:	4.44
IP(EA), eV:	-8.81(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methylphenyl)triazol-4-yl]-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)C3=CC4=C(C=C3)N(C(=O)N4)C5CCCC5

DOS

IR

Vibrations