Geometry & MOs

Info

ID:	415364
PubChem CID:	135088358
Reduced:	N5C17H21 (1)
Stoich.:	A5B17C21 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	75.86
Dipole, Da:	5.28
IP(EA), eV:	-8.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=N2)NCCCN3C=CN=N3)C)C

DOS

IR

Vibrations