Geometry & MOs

Info

ID:	59209
PubChem CID:	24775749
Reduced:	NO3F10H21C27 (1)
Stoich.:	AB3C10D21E27 (1)
Weight, g/mol:	494.212947
ΔH_f, kcal/mol:	-591.55
Dipole, Da:	4.97
IP(EA), eV:	-9.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]anilino]butan-1-ol

Drug info:

PubChemData

Smile

C1CC2=C(C=CC=C2N([C@@H]1C3=CC(=CC=C3)OC(C(F)F)(F)F)C[C@@H](C(F)(F)F)O)C4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations