Geometry & MOs

Info

ID:	423907
PubChem CID:	135120706
Reduced:	FON5C15H18 (1)
Stoich.:	ABC5D15E18 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	1.43
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(6-cyclopropylpyrimidin-4-yl)-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=N1)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)F

DOS

IR

Vibrations