Geometry & MOs

Info

ID:	70952
PubChem CID:	48414092
Reduced:	ON3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	26.39
Dipole, Da:	1.99
IP(EA), eV:	-9.27(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations