Geometry & MOs

Info

ID:	272016
PubChem CID:	103717071
Reduced:	ClNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-62.12
Dipole, Da:	2.51
IP(EA), eV:	-8.95(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)Cl)NC2CCCCC2CO

DOS

IR

Vibrations