Geometry & MOs

Info

ID:	418532
PubChem CID:	135105553
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	28.92
Dipole, Da:	2.1
IP(EA), eV:	-8.58(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylmethyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN(CC2=CC=C(S2)C3=CC=NN3)C4CC4)O

DOS

IR

Vibrations