Geometry & MOs

Info

ID:	59210
PubChem CID:	24775750
Reduced:	F2O3N4C27H28 (1)
Stoich.:	A2B3C4D27E28 (1)
Weight, g/mol:	458.13211
ΔH_f, kcal/mol:	-100.75
Dipole, Da:	5.62
IP(EA), eV:	-8.3(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]aniline;hydrochloride

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=CC(=C2)C3=CC=NC4=CC(=NN34)C5=CC(=CC=C5)NCCCCO)OC(F)F

DOS

IR

Vibrations