Geometry & MOs

Info

ID:	84656
PubChem CID:	49869153
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-40.73
Dipole, Da:	4.93
IP(EA), eV:	-8.7(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diazatricyclo[4.3.1.13,8]undecan-4-yl-(1-methylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CC3CC4CC2CN(C4)C3)C

DOS

IR

Vibrations