Geometry & MOs

Info

ID:	415606
PubChem CID:	135088605
Reduced:	N4O4H24C25 (1)
Stoich.:	A4B4C24D25 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-104.35
Dipole, Da:	9.09
IP(EA), eV:	-9.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,5S,6R,7R)-3-(4-aminopyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,5-dimethylfuran-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2=CC=CC=C2C(=O)N3C[C@H]([C@@H](C3)O)CC4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations