Geometry & MOs

Info

ID:	398723
PubChem CID:	135035075
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-64.89
Dipole, Da:	2.44
IP(EA), eV:	-9.0(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(1S,2S)-2-benzylcyclopropyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(N=C(N1)N)C2=CC=CC=C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations