Geometry & MOs

Info

ID:	46090
PubChem CID:	10521435
Reduced:	N3O3H15C20 (1)
Stoich.:	A3B3C15D20 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	-7.09
Dipole, Da:	3.1
IP(EA), eV:	-8.31(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylpyrazol-1-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=NC2=C(C(=O)NC2=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations