Geometry & MOs

Info

ID:	145048
PubChem CID:	53452682
Reduced:	NOC13H16 (2)
Stoich.:	ABC13D16 (2)
Weight, g/mol:	364.227654
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	2.38
IP(EA), eV:	-7.51(0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

furan-2-ylmethyl-[4-phenyl-3-(4-propan-2-yloxyphenyl)butyl]azanium

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC4=C(N2)C=C(C(=C4)C)C)(C)C

DOS

IR

Vibrations