Geometry & MOs

Info

ID:	380762
PubChem CID:	134971306
Reduced:	N2O3C24H24 (1)
Stoich.:	A2B3C24D24 (1)
Weight, g/mol:	419.209658
ΔH_f, kcal/mol:	-17.04
Dipole, Da:	3.05
IP(EA), eV:	-9.53(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[1-(4-acetylphenyl)-3-methylpent-1-yn-3-yl]-benzylamino]-3-oxopropanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)N(CC1=CC=CC=C1)C(C)(C)C#CC2=CC(=CC=C2)C#N

DOS

IR

Vibrations