Geometry & MOs

Info

ID:	329433
PubChem CID:	126736676
Reduced:	O2N4C25H36 (1)
Stoich.:	A2B4C25D36 (1)
Weight, g/mol:	423.172498
ΔH_f, kcal/mol:	-91.16
Dipole, Da:	5.89
IP(EA), eV:	-8.65(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-fluoro-N-[[8-[2-[(3-methyloxetan-3-yl)amino]-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CN2C)C(=O)NCC3CC4CCC(C3)N4CC(=O)NC(C)(C)C

DOS

IR

Vibrations