Geometry & MOs

Info

ID:	215086
PubChem CID:	85084133
Reduced:	IS2O4H33C34 (1)
Stoich.:	AB2C4D33E34 (1)
Weight, g/mol:	285.151178
ΔH_f, kcal/mol:	-64.86
Dipole, Da:	6.21
IP(EA), eV:	-8.73(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-5,5-diethyl-2,3,4,8-tetrahydro-1H-1,5-azagermocine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC(CC(COC(=O)C2=CC=CC=C2)C(COC(=O)C3=CC=CC=C3)I)SCC4=CC=CC=C4

DOS

IR

Vibrations