Geometry & MOs

Info

ID:	164951
PubChem CID:	74477276
Reduced:	FO2N5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	194.154489
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	1.42
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-butoxyphenyl)ethylazanium

Drug info:

PubChemData

Smile

CC1CN2C3C(NC2N(C1)C4=CC=C(C=C4)F)N(C(=O)N(C3=O)CC=C)C

DOS

IR

Vibrations