Geometry & MOs

Info

ID:	417341
PubChem CID:	135092444
Reduced:	N5C23H27 (1)
Stoich.:	A5B23C27 (1)
Weight, g/mol:	308.129156
ΔH_f, kcal/mol:	78.42
Dipole, Da:	1.95
IP(EA), eV:	-8.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-5-methylphenyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations