Geometry & MOs

Info

ID:	227312
PubChem CID:	87561209
Reduced:	ClN6H13C17 (1)
Stoich.:	AB6C13D17 (1)
Weight, g/mol:	344.121545
ΔH_f, kcal/mol:	149.34
Dipole, Da:	1.54
IP(EA), eV:	-9.7(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-methylpiperidin-4-yl]methyl]-2,2-difluoroethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N3C(=NC(=N3)C4=CC=CC=N4)N=C2Cl)CN

DOS

IR

Vibrations