Geometry & MOs

Info

ID:	39985
PubChem CID:	8143351
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	354.10093
ΔH_f, kcal/mol:	-43.02
Dipole, Da:	1.78
IP(EA), eV:	-8.86(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(2-chlorophenyl)ethyl]-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations