Geometry & MOs

Info

ID:	342406
PubChem CID:	127265229
Reduced:	N3O3H13C14 (1)
Stoich.:	A3B3C13D14 (1)
Weight, g/mol:	228.137497
ΔH_f, kcal/mol:	30.85
Dipole, Da:	7.11
IP(EA), eV:	-9.69(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine

Drug info:

PubChemData

Smile

CC(=CC1=CC(=C(C=C1)[N+](=O)[O-])OC)C2=NC=CN=C2

DOS

IR

Vibrations