Geometry & MOs

Info

ID:	446654
PubChem CID:	135276675
Reduced:	FN5O10C22H44 (1)
Stoich.:	AB5C10D22E44 (1)
Weight, g/mol:	526.194023
ΔH_f, kcal/mol:	-517.21
Dipole, Da:	2.02
IP(EA), eV:	-9.51(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-2-(3,4-dimethoxyphenyl)-5-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CC(C(CO)OC(C(CO)O)OC1C(C(C2[C@@H](O1)CC(C(O2)OC3C(CC(C(C3F)O)N)N)N)O)NC)N

DOS

IR

Vibrations