Geometry & MOs

Info

ID:	441678
PubChem CID:	135240086
Reduced:	Cl2N7O10C37H47 (1)
Stoich.:	A2B7C10D37E47 (1)
Weight, g/mol:	337.086053
ΔH_f, kcal/mol:	-234.36
Dipole, Da:	12.78
IP(EA), eV:	-9.05(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC(=C(C=C2)Cl)Cl)CNC(=O)NCC3=CC=C(C=C3)C(=O)NCCCOCCOCCOCCCNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations