Geometry & MOs

Info

ID:	335579
PubChem CID:	127254441
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	59.29
Dipole, Da:	10.06
IP(EA), eV:	-8.17(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC=CC=C3N4C=NN=C4

DOS

IR

Vibrations