Geometry & MOs

Info

ID:	58864
PubChem CID:	24714993
Reduced:	NO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-102.24
Dipole, Da:	1.42
IP(EA), eV:	-9.04(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(CCCOC)CC2=CC=C(O2)C(C)(C)O

DOS

IR

Vibrations