Geometry & MOs

Info

ID:	365892
PubChem CID:	127319150
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	360.26376
ΔH_f, kcal/mol:	-53.92
Dipole, Da:	3.06
IP(EA), eV:	-8.76(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=CC(=N1)C2=CC=CC=C2)NC(=O)N3CCC(CC3)OC4CCCC4

DOS

IR

Vibrations