Geometry & MOs

Info

ID:	297500
PubChem CID:	117619082
Reduced:	N2O12C29H40 (1)
Stoich.:	A2B12C29D40 (1)
Weight, g/mol:	257.210327
ΔH_f, kcal/mol:	-518.04
Dipole, Da:	10.79
IP(EA), eV:	-9.73(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-4-methoxybutan-1-one

Drug info:

PubChemData

Smile

CCC(C1C(C(=O)OC1=O)C(C)(CC)C(=O)OCCOC(=O)C(C(=O)C)C(=O)NCCOC(=O)C(=C)C)N2CCCC2=O

DOS

IR

Vibrations