Geometry & MOs

Info

ID:	242307
PubChem CID:	96099839
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	233.164046
ΔH_f, kcal/mol:	-8.35
Dipole, Da:	4.33
IP(EA), eV:	-9.09(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[2-(methylaminomethyl)imidazo[4,5-b]pyridin-3-yl]butan-1-amine

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCC(=O)N2CCC[C@H]2C3=NOC(=N3)C(C)C

DOS

IR

Vibrations