Geometry & MOs

Info

ID:	171768
PubChem CID:	75423838
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	332.257612
ΔH_f, kcal/mol:	34.83
Dipole, Da:	4.53
IP(EA), eV:	-9.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-tert-butyloxolan-3-yl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine

Drug info:

PubChemData

Smile

C1CCC(C1)N(C2CC2)C(=O)NCC3=CC=CC=C3CN4C=NC=N4

DOS

IR

Vibrations