Geometry & MOs

Info

ID:	140724
PubChem CID:	52747404
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	366.215472
ΔH_f, kcal/mol:	-92.55
Dipole, Da:	0.95
IP(EA), eV:	-9.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate

Drug info:

PubChemData

Smile

CCCCC1=NC(=NO1)C2=CC=C(C=C2)OCC(=O)N3CCOCC3

DOS

IR

Vibrations