Geometry & MOs

Info

ID:	146330
PubChem CID:	53671343
Reduced:	SiN2O6C41H74 (1)
Stoich.:	AB2C6D41E74 (1)
Weight, g/mol:	274.215747
ΔH_f, kcal/mol:	-400.93
Dipole, Da:	6.2
IP(EA), eV:	-8.93(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-1-[(1-ethyl-1,3-dihydroisoindol-2-yl)methyl]guanidine

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](CC1CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@@H](CCC(=O)NCCCCCC(=O)NCCCCCO)CO)C)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations