Geometry & MOs

Info

ID:	184620
PubChem CID:	77184269
Reduced:	SiN4O5C24H36 (1)
Stoich.:	AB4C5D24E36 (1)
Weight, g/mol:	496.169975
ΔH_f, kcal/mol:	-142.53
Dipole, Da:	4.13
IP(EA), eV:	-9.17(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-chloro-1-(2-pyrazolidin-3-yl-5-pyridin-4-ylthiophen-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC=C)C1=NC(=CN1COCC[Si](C)(C)C)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations