Geometry & MOs

Info

ID:	234624
PubChem CID:	92303186
Reduced:	ON5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	57.15
Dipole, Da:	3.67
IP(EA), eV:	-8.35(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2N=C(N=C3N2C4=CC=CC=C4N3)N

DOS

IR

Vibrations