Geometry & MOs

Info

ID:	425780
PubChem CID:	135127952
Reduced:	N2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	390.076217
ΔH_f, kcal/mol:	82.58
Dipole, Da:	4.9
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CC1CCNC2=NC(=NC3=C2C=C(C=C3)C)C4=CN=CC=C4

DOS

IR

Vibrations