Geometry & MOs

Info

ID:	136180
PubChem CID:	51992389
Reduced:	FN2O2H26C27 (1)
Stoich.:	AB2C2D26E27 (1)
Weight, g/mol:	376.227654
ΔH_f, kcal/mol:	-32.69
Dipole, Da:	8.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.114546
Charge, e:	1

Chem-info

IUPAC name:

[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-(2-phenylethyl)azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)COC2=C(C3=CC=CC=C3C=C2)C[NH2+]CC4=CC=C(C=C4)F

DOS

IR

Vibrations