Geometry & MOs

Info

ID:	170876
PubChem CID:	75290637
Reduced:	O2C7H8 (3)
Stoich.:	A2B7C8 (3)
Weight, g/mol:	413.196408
ΔH_f, kcal/mol:	-200.58
Dipole, Da:	3.48
IP(EA), eV:	-7.95(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpiperidin-1-yl)-6-(2-oxa-9,11,12-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),4,6,8,10,13(17),14-heptaen-15-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)O)O)OCO3

DOS

IR

Vibrations