Geometry & MOs

Info

ID:	420218
PubChem CID:	135111909
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-69.68
Dipole, Da:	7.33
IP(EA), eV:	-9.1(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1CCCCO1)C(=O)CN(C)CC2=CN=CC=C2

DOS

IR

Vibrations