Geometry & MOs

Info

ID:	228148
PubChem CID:	87563528
Reduced:	O2N5F6C20H21 (1)
Stoich.:	A2B5C6D20E21 (1)
Weight, g/mol:	316.120322
ΔH_f, kcal/mol:	-309.03
Dipole, Da:	12.22
IP(EA), eV:	-8.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-aminophenyl)methyl]-5-chloro-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)C(F)(F)F)N.C(=O)(C(F)(F)F)N

DOS

IR

Vibrations