Geometry & MOs

Info

ID:	445012
PubChem CID:	135264264
Reduced:	ON7C23H23 (1)
Stoich.:	AB7C23D23 (1)
Weight, g/mol:	356.127326
ΔH_f, kcal/mol:	127.1
Dipole, Da:	3.6
IP(EA), eV:	-9.14(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-7-oxo-5-(4-phenoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC/C=C/C1=CC=CC(=N1)CN2C=C(C=N2)C3=C(C(=O)N4C(=N3)C(=CN4)C#N)C(C)C

DOS

IR

Vibrations