Geometry & MOs

Info

ID:	360069
PubChem CID:	127300337
Reduced:	OSN5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	361.284161
ΔH_f, kcal/mol:	-19.0
Dipole, Da:	3.66
IP(EA), eV:	-8.7(-0.66)
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-propan-2-yl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN2CC(CCC2=N1)NC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations