Geometry & MOs

Info

ID:	358895
PubChem CID:	127296786
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	375.274659
ΔH_f, kcal/mol:	-133.73
Dipole, Da:	1.05
IP(EA), eV:	-8.89(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2(CCCC2)CNC(=O)NC3CCCOC3

DOS

IR

Vibrations