Geometry & MOs

Info

ID:	257142
PubChem CID:	103144037
Reduced:	O5C15H26 (1)
Stoich.:	A5B15C26 (1)
Weight, g/mol:	253.157898
ΔH_f, kcal/mol:	-258.34
Dipole, Da:	5.95
IP(EA), eV:	-9.97(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1CCC(O1)C)(CC(C)C)C(=O)O

DOS

IR

Vibrations