Geometry & MOs

Info

ID:	255705
PubChem CID:	103134136
Reduced:	ON3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	62.07
Dipole, Da:	7.99
IP(EA), eV:	-9.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]aniline

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations