Geometry & MOs

Info

ID:	199165
PubChem CID:	79208556
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	206.141913
ΔH_f, kcal/mol:	-133.32
Dipole, Da:	3.53
IP(EA), eV:	-8.84(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCNC(=O)CCCCO

DOS

IR

Vibrations