Geometry & MOs

Info

ID:	275303
PubChem CID:	103815039
Reduced:	ON5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	-30.83
Dipole, Da:	3.32
IP(EA), eV:	-9.02(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC(C)C1=NC=NN1)C2CCCNC2

DOS

IR

Vibrations