Geometry & MOs

Info

ID:	275878
PubChem CID:	103818599
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	-179.75
Dipole, Da:	2.58
IP(EA), eV:	-7.88(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline

Drug info:

PubChemData

Smile

CC1(OC2=C(O1)C=C(C=C2)NCCNC(=O)OC(C)(C)C)C

DOS

IR

Vibrations