Geometry & MOs

Info

ID:	234625
PubChem CID:	92303187
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	396.135304
ΔH_f, kcal/mol:	-3.31
Dipole, Da:	3.07
IP(EA), eV:	-8.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(2-chlorophenyl)-3-[2-(dimethylamino)ethyl]-4-imino-5H-chromeno[2,3-d]pyrimidin-8-ol

Drug info:

PubChemData

Smile

CCN(CC)CCN1C=NC2=C(C1=N)[C@@H](C3=C(O2)C=C(C=C3)O)C4=CC=CC=C4Cl

DOS

IR

Vibrations