Geometry & MOs

Info

ID:	189409
PubChem CID:	77850904
Reduced:	N3O5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	-139.12
Dipole, Da:	4.32
IP(EA), eV:	-9.61(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(dimethylamino)azepan-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CCC1(CCOC)O)C(=O)CCC2=NC(=NO2)C3=CC=CO3

DOS

IR

Vibrations