Geometry & MOs

Info

ID:	420412
PubChem CID:	135112981
Reduced:	N5O5C31H39 (1)
Stoich.:	A5B5C31D39 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-115.4
Dipole, Da:	8.2
IP(EA), eV:	-8.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-9-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C/C=C/C4=CC=C(C=C4)OC

DOS

IR

Vibrations