Geometry & MOs

Info

ID:	44493
PubChem CID:	10503777
Reduced:	NSiO2C28H41 (1)
Stoich.:	ABC2D28E41 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-81.59
Dipole, Da:	2.29
IP(EA), eV:	-8.74(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-8-diazonium;chloride

Drug info:

PubChemData

Smile

C/C(=C/CN(CC1=CC=CC=C1)[C@@H](CO[Si](C)(C)C(C)(C)C)C=C)/COC2=CC=CC=C2

DOS

IR

Vibrations