Geometry & MOs

Info

ID:	130163
PubChem CID:	51075120
Reduced:	ON6C15H20 (1)
Stoich.:	AB6C15D20 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	40.28
Dipole, Da:	7.41
IP(EA), eV:	-9.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=NC=C2)C(=O)CCN3C=NC=N3

DOS

IR

Vibrations