Geometry & MOs

Info

ID:

245303

PubChem CID:

99443270

Reduced:

O2N6C25H32 (1)

Stoich.:

A2B6C25D32 (1)

Weight, g/mol:

448.258674

ΔHf, kcal/mol:

-3.17

Dipole, Da:

4.32

IP(EA), eV:

 -8.32(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCN1C[C@@H](OC2=CC=CC=C21)CN(C)C(=O)CC3=C(N(N=C3C)C4=NC(=CC(=N4)C)C)C

DOS

IR

Vibrations