Geometry & MOs

Info

ID:	255865
PubChem CID:	103135254
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	209.189198
ΔH_f, kcal/mol:	-100.06
Dipole, Da:	7.31
IP(EA), eV:	-10.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-(1-methylpyrazol-3-yl)hexan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(C=N2)C(=O)O

DOS

IR

Vibrations