Geometry & MOs

Info

ID:	167628
PubChem CID:	74849694
Reduced:	N5O5C23H27 (1)
Stoich.:	A5B5C23D27 (1)
Weight, g/mol:	551.188816
ΔH_f, kcal/mol:	-58.93
Dipole, Da:	6.16
IP(EA), eV:	-8.86(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)C2C3CN(CCC3NN2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations