Geometry & MOs

Info

ID:	190278
PubChem CID:	77980467
Reduced:	N5C16H21 (1)
Stoich.:	A5B16C21 (1)
Weight, g/mol:	481.219927
ΔH_f, kcal/mol:	69.24
Dipole, Da:	2.58
IP(EA), eV:	-8.36(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[1-(4-fluorophenyl)-5a-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-b]isoquinolin-6-yl]-1-hydroxyethyl]-N,N-dimethyl-2,3-dihydrothiophene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=NN(C2=NC=NC(=C2)N)C(C)(C)C

DOS

IR

Vibrations