Geometry & MOs

Info

ID:	163840
PubChem CID:	74380533
Reduced:	N2O14C45H78 (1)
Stoich.:	A2B14C45D78 (1)
Weight, g/mol:	349.144471
ΔH_f, kcal/mol:	-662.92
Dipole, Da:	3.8
IP(EA), eV:	-8.42(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[but-2-ynyl(methyl)amino]-2-(4-chlorophenyl)ethoxy]but-2-enoate

Drug info:

PubChemData

Smile

CCC1C(C2C(CN(CC(=C)CO2)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)OC(=O)C)(C)O)C)C)(C)O

DOS

IR

Vibrations