Geometry & MOs

Info

ID:	364204
PubChem CID:	127314507
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-116.73
Dipole, Da:	8.63
IP(EA), eV:	-8.86(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)C(=O)CN(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations