Geometry & MOs

Info

ID:	408009
PubChem CID:	135080764
Reduced:	NPO3C12H24 (1)
Stoich.:	ABC3D12E24 (1)
Weight, g/mol:	207.162314
ΔH_f, kcal/mol:	-232.63
Dipole, Da:	5.34
IP(EA), eV:	-9.13(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R)-4-ethyl-2-methyl-1-propan-2-yl-4H-pyridin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1(CC(OP(=O)(O1)C2(CCCN2)C)(C)C)C

DOS

IR

Vibrations