Geometry & MOs

Info

ID:	280780
PubChem CID:	103851239
Reduced:	N2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	85.83
Dipole, Da:	5.1
IP(EA), eV:	-9.01(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-ethoxy-3-methoxyphenyl)methanamine

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NCC3=CC=CC=C3C#N

DOS

IR

Vibrations