Geometry & MOs

Info

ID:	360091
PubChem CID:	127300424
Reduced:	ON6C20H30 (1)
Stoich.:	AB6C20D30 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-23.22
Dipole, Da:	2.83
IP(EA), eV:	-8.69(0.55)
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)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN2CC(CCC2=N1)NC(=O)N3CCCC(C3)C4=NC=CN4

DOS

IR

Vibrations