Geometry & MOs

Info

ID:	142167
PubChem CID:	52994577
Reduced:	ClO3N5C15H18 (1)
Stoich.:	AB3C5D15E18 (1)
Weight, g/mol:	357.104418
ΔH_f, kcal/mol:	-96.61
Dipole, Da:	12.73
IP(EA), eV:	-9.57(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[(4-fluorophenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

Drug info:

PubChemData

Smile

CC\1=NC(=O)NC(=O)/C1=C\NNC(=O)[C@H](CC2=CC=CC=C2)N.Cl

DOS

IR

Vibrations