Geometry & MOs

Info

ID:	218112
PubChem CID:	85088899
Reduced:	Si2O5C21H42 (1)
Stoich.:	A2B5C21D42 (1)
Weight, g/mol:	430.083268
ΔH_f, kcal/mol:	-337.55
Dipole, Da:	1.73
IP(EA), eV:	-8.91(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-N-[(2-nitrophenyl)methylideneamino]-4-phenylisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CCC(C2C1O2)C(C(=O)OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations