Geometry & MOs

Info

ID:	192788
PubChem CID:	78312681
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-37.28
Dipole, Da:	5.19
IP(EA), eV:	-8.12(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-acetyl-2,7-diazaspiro[4.5]decan-2-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2(C1)CCN(C2)C3=CC=CC=C3

DOS

IR

Vibrations