Geometry & MOs

Info

ID:	420401
PubChem CID:	135112948
Reduced:	O2N5C14H25 (1)
Stoich.:	A2B5C14D25 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	-84.19
Dipole, Da:	5.94
IP(EA), eV:	-9.68(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-[(6-methoxypyridin-3-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCCC(C(=O)NCCC1=NN=CN1C(C)C)NC(=O)C

DOS

IR

Vibrations