Geometry & MOs

Info

ID:	361595
PubChem CID:	127303861
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	363.180758
ΔH_f, kcal/mol:	-62.59
Dipole, Da:	7.57
IP(EA), eV:	-9.4(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)C2=NN=CN2C3CC3)NC(=O)C4CCCCC4

DOS

IR

Vibrations