Geometry & MOs

Info

ID:	371249
PubChem CID:	127344470
Reduced:	ON6C22H34 (1)
Stoich.:	AB6C22D34 (1)
Weight, g/mol:	387.299811
ΔH_f, kcal/mol:	-20.32
Dipole, Da:	6.59
IP(EA), eV:	-8.65(0.58)
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)-4-cyclopentyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)NC3CCC4=NC(=CN4C3)C(C)(C)C

DOS

IR

Vibrations