Geometry & MOs

Info

ID:	433082
PubChem CID:	135173219
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	-20.83
Dipole, Da:	2.57
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-fluoro-1-[5-[(4S)-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl]pyrimidin-2-yl]piperidin-4-yl]methanol

Drug info:

PubChemData

Smile

C[C@H]1CCC2=NC3=C(N12)N=C(C=C3)C4=CC(=NC=C4)OCC(C)(C)O

DOS

IR

Vibrations