Geometry & MOs

Info

ID:	81953
PubChem CID:	49855396
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	2.59
IP(EA), eV:	-8.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-[(naphthalen-2-ylmethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2NC3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations