Geometry & MOs

Info

ID:	281234
PubChem CID:	103911561
Reduced:	ON4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	-7.06
Dipole, Da:	5.55
IP(EA), eV:	-8.96(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine

Drug info:

PubChemData

Smile

CC1CC(CCO1)NCC2=NN(C=N2)C

DOS

IR

Vibrations