Geometry & MOs

Info

ID:	256103
PubChem CID:	103137044
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	59.14
Dipole, Da:	3.85
IP(EA), eV:	-8.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyloxolan-2-yl)methyl 4-amino-5-ethyl-2-methylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations