Geometry & MOs

Info

ID:	424513
PubChem CID:	135122968
Reduced:	NO2C5H13 (1)
Stoich.:	AB2C5D13 (1)
Weight, g/mol:	386.175202
ΔH_f, kcal/mol:	-116.1
Dipole, Da:	1.6
IP(EA), eV:	-9.37(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]azepan-4-amine

Drug info:

PubChemData

Smile

CCN(C)C(C)(O)O

DOS

IR

Vibrations