Geometry & MOs

Info

ID:	325641
PubChem CID:	126684302
Reduced:	Br2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	427.233188
ΔH_f, kcal/mol:	-123.08
Dipole, Da:	2.18
IP(EA), eV:	-9.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(4-methoxyphenyl)methyl]-5-morpholin-4-yltriazolo[4,5-d]pyrimidin-7-yl]-propylamino]ethanol

Drug info:

PubChemData

Smile

CCCC(CCC(C)CC(CC1=CC=C(C=C1)Br)(CO)CO)Br

DOS

IR

Vibrations