Geometry & MOs

Info

ID:	419557
PubChem CID:	135108414
Reduced:	O3N6C18H28 (1)
Stoich.:	A3B6C18D28 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-108.35
Dipole, Da:	1.8
IP(EA), eV:	-9.1(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CC[C@]4(CCCN[C@@H]4C3)CO

DOS

IR

Vibrations