Geometry & MOs

Info

ID:	322946
PubChem CID:	126671632
Reduced:	NO6C21H29 (1)
Stoich.:	AB6C21D29 (1)
Weight, g/mol:	305.210327
ΔH_f, kcal/mol:	-232.24
Dipole, Da:	4.09
IP(EA), eV:	-9.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-(4-piperazin-1-ylphenyl)ethyl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)C#CCOCCCOCC(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations