Geometry & MOs

Info

ID:	58485
PubChem CID:	24702038
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-49.62
Dipole, Da:	4.21
IP(EA), eV:	-8.59(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CC2CCNCC2

DOS

IR

Vibrations