Geometry & MOs

Info

ID:	442714
PubChem CID:	135255923
Reduced:	O3N8C29H30 (1)
Stoich.:	A3B8C29D30 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	34.76
Dipole, Da:	11.77
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(R)-amino-[6-(hydroxymethyl)pyridin-2-yl]methyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1CCC(CC1)C(=O)O)C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5OC)C#N)N

DOS

IR

Vibrations