Geometry & MOs

Info

ID:	380763
PubChem CID:	134971308
Reduced:	NO4C26H29 (1)
Stoich.:	AB4C26D29 (1)
Weight, g/mol:	411.160121
ΔH_f, kcal/mol:	-108.15
Dipole, Da:	5.29
IP(EA), eV:	-9.48(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[benzyl-[1-(2-chlorophenyl)-3-methylpent-1-yn-3-yl]amino]-3-oxopropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations