Geometry & MOs

Info

ID:	299847
PubChem CID:	117695923
Reduced:	ClNO2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	-65.48
Dipole, Da:	4.98
IP(EA), eV:	-9.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-4-yl]amino]phenol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(C)C(C)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations