Geometry & MOs

Info

ID:	124978
PubChem CID:	50905961
Reduced:	Cl2N5O5C32H43 (1)
Stoich.:	A2B5C5D32E43 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-208.01
Dipole, Da:	3.58
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6S)-6-methoxy-4a-phenyl-2-pyrimidin-5-yl-1,4,6,7-tetrahydropyrano[3,2-c]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC(=O)OCN1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl)N

DOS

IR

Vibrations