Geometry & MOs

Info

ID:	380761
PubChem CID:	134971305
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	388.178693
ΔH_f, kcal/mol:	-201.26
Dipole, Da:	5.87
IP(EA), eV:	-10.05(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[benzyl-[4-(3-cyanophenyl)-2-methylbut-3-yn-2-yl]amino]-3-oxopropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2(CCCCC2)NC1=O)CC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations