Geometry & MOs

Info

ID:	350637
PubChem CID:	127278672
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-37.83
Dipole, Da:	3.14
IP(EA), eV:	-8.72(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations