Geometry & MOs

Info

ID:	315131
PubChem CID:	126624566
Reduced:	NOC9H19 (1)
Stoich.:	ABC9D19 (1)
Weight, g/mol:	382.142976
ΔH_f, kcal/mol:	-66.47
Dipole, Da:	1.96
IP(EA), eV:	-8.72(2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[4-(furan-2-yl)-2,6-dimethylphenoxy]pyrimidin-2-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC1CN(CCO1)CC(C)C

DOS

IR

Vibrations