Geometry & MOs

Info

ID:	158784
PubChem CID:	56468445
Reduced:	FON7C22H26 (1)
Stoich.:	ABC7D22E26 (1)
Weight, g/mol:	453.208613
ΔH_f, kcal/mol:	29.65
Dipole, Da:	9.73
IP(EA), eV:	-8.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)C(C)C)F

DOS

IR

Vibrations