Geometry & MOs

Info

ID:	439497
PubChem CID:	135229271
Reduced:	SC45H76 (1)
Stoich.:	AB45C76 (1)
Weight, g/mol:	142.121846
ΔH_f, kcal/mol:	-100.2
Dipole, Da:	1.5
IP(EA), eV:	-6.63(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-triazabicyclo[3.2.1]octan-3-ylmethanamine

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C3CC(CCC3C2S4(C5C6CC7C(CC6C8C5C4C9C(C8)C(CCC9(C)C)(C)C)C(CCC7(C)C)(C)C)C)C

DOS

IR

Vibrations