Geometry & MOs

Info

ID:	8668
PubChem CID:	80122
Reduced:	N2O2H14C19 (1)
Stoich.:	A2B2C14D19 (1)
Weight, g/mol:	302.105528
ΔH_f, kcal/mol:	24.42
Dipole, Da:	3.57
IP(EA), eV:	-9.08(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-methylpyrazol-1-yl)-3-phenylchromen-2-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=CC=C4

DOS

IR

Vibrations