Geometry & MOs

Info

ID:	321958
PubChem CID:	126667513
Reduced:	O3N8C26H28 (1)
Stoich.:	A3B8C26D28 (1)
Weight, g/mol:	436.056544
ΔH_f, kcal/mol:	86.26
Dipole, Da:	10.39
IP(EA), eV:	-8.11(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(difluoromethoxy)-4-fluoro-5-nitrophenyl]-4-(1-methylthieno[3,2-c]pyrazol-3-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1CCCC12CN(C2)C3=C(C=C(C(=C3)OC)NC4=NC=CC(=N4)C5=CN(C6=C5N=CC=C6)C)[N+](=O)[O-]

DOS

IR

Vibrations