Geometry & MOs

Info

ID:	126094
PubChem CID:	50950971
Reduced:	N6C15H22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	43.77
Dipole, Da:	2.33
IP(EA), eV:	-8.7(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]-N-pyridin-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCCCC2)NCC3=NC=CN3

DOS

IR

Vibrations