Geometry & MOs

Info

ID:	265128
PubChem CID:	103510845
Reduced:	N7C13H21 (1)
Stoich.:	A7B13C21 (1)
Weight, g/mol:	275.185844
ΔH_f, kcal/mol:	71.57
Dipole, Da:	3.59
IP(EA), eV:	-8.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C2=NNC(=N2)C3=CN=CN3C)N

DOS

IR

Vibrations