Geometry & MOs

Info

ID:	175212
PubChem CID:	75867963
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	456.249846
ΔH_f, kcal/mol:	-131.7
Dipole, Da:	4.58
IP(EA), eV:	-8.5(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoylamino]-1-(3-methoxyphenyl)ethyl]-diethylazanium

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3F

DOS

IR

Vibrations