Geometry & MOs

Info

ID:	355443
PubChem CID:	127288506
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	323.149458
ΔH_f, kcal/mol:	-78.82
Dipole, Da:	4.07
IP(EA), eV:	-9.6(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,2,4-triazol-4-yl)phenyl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)N2C=NC=N2)NC(=O)CC3CCCCC3

DOS

IR

Vibrations