Geometry & MOs

Info

ID:	368420
PubChem CID:	127328345
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	365.196408
ΔH_f, kcal/mol:	-84.79
Dipole, Da:	5.17
IP(EA), eV:	-9.28(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)CNC(=O)C3CCCN(C3)C(=O)C(C)(C)C

DOS

IR

Vibrations