Geometry & MOs

Info

ID:	208106
PubChem CID:	80496350
Reduced:	N3C6H10 (2)
Stoich.:	A3B6C10 (2)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	82.43
Dipole, Da:	3.75
IP(EA), eV:	-9.11(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=CN(N=C1)CCC)C2=NNN=C2

DOS

IR

Vibrations