Geometry & MOs

Info

ID:	423965
PubChem CID:	135120892
Reduced:	ClOSN4C19H27 (1)
Stoich.:	ABCD4E19F27 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-20.34
Dipole, Da:	3.8
IP(EA), eV:	-8.82(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCN(C)C)C(=O)C(C)SCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations