Geometry & MOs

Info

ID:	360086
PubChem CID:	127300373
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-26.13
Dipole, Da:	5.73
IP(EA), eV:	-8.69(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C(=O)NC3CCC4=NC(=CN4C3)C(C)(C)C

DOS

IR

Vibrations