Geometry & MOs

Info

ID:	83376
PubChem CID:	49857514
Reduced:	O3N6C25H30 (1)
Stoich.:	A3B6C25D30 (1)
Weight, g/mol:	362.195405
ΔH_f, kcal/mol:	12.76
Dipole, Da:	3.55
IP(EA), eV:	-8.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COCCONC(=O)C1=CN=C(N=C1)N2C[C@@H]3[C@H](C2)C3NC4=NC=CC5=CC=CC=C54

DOS

IR

Vibrations