Geometry & MOs

Info

ID:	187729
PubChem CID:	77616058
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-89.16
Dipole, Da:	6.1
IP(EA), eV:	-8.8(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[3.1.1]heptane;2-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CN(C1=NC=CC(=C1)N)C(=O)C2C3=CC=CC=C3C4(O2)CCNCC4)OC

DOS

IR

Vibrations