Geometry & MOs

Info

ID:	359781
PubChem CID:	127299825
Reduced:	ClO2N4C20H31 (1)
Stoich.:	AB2C4D20E31 (1)
Weight, g/mol:	374.162187
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	4.1
IP(EA), eV:	-8.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]pyridin-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)CNC2=C(C=C(C=N2)C(=O)N3CCCCC3)Cl

DOS

IR

Vibrations