Geometry & MOs

Info

ID:	75358
PubChem CID:	48423375
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	404.242356
ΔH_f, kcal/mol:	-179.83
Dipole, Da:	2.46
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)OCC3CCCO3

DOS

IR

Vibrations