Geometry & MOs

Info

ID:	441000
PubChem CID:	135232632
Reduced:	PF2N4O8C22H29 (1)
Stoich.:	AB2C4D8E22F29 (1)
Weight, g/mol:	176.106196
ΔH_f, kcal/mol:	-481.52
Dipole, Da:	4.52
IP(EA), eV:	-9.47(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylimidazol-1-yl)-3,4-dihydropyridin-2-amine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@]1([C@H]([C@@]([C@@H](O1)N2C=CC(=NC2=O)N)(C)F)O)F)OC3=CC=CC=C3

DOS

IR

Vibrations