Geometry & MOs

Info

ID:	132075
PubChem CID:	51302926
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-43.01
Dipole, Da:	2.16
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCN3CCN(CC3)C(=O)C(C)C

DOS

IR

Vibrations