Geometry & MOs

Info

ID:	321860
PubChem CID:	126667089
Reduced:	O2N7C25H27 (1)
Stoich.:	A2B7C25D27 (1)
Weight, g/mol:	469.203779
ΔH_f, kcal/mol:	87.17
Dipole, Da:	5.98
IP(EA), eV:	-7.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]-5-(difluoromethoxy)-1-N-[2-(dimethylamino)ethyl]-1-N-methylbenzene-1,2,4-triamine

Drug info:

PubChemData

Smile

CN1CCCC12CN(C2)C3=CC(=C(C=C3N)NC4=NC=CC(=N4)C5=NOC6=CC=CC=C65)OC

DOS

IR

Vibrations