Geometry & MOs

Info

ID:	81352
PubChem CID:	49854632
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-23.97
Dipole, Da:	7.58
IP(EA), eV:	-9.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CC2CC2(C1)C3=CC=C(C=C3)N4C[C@@H](OC4=O)CN5C=CN=N5

DOS

IR

Vibrations