Geometry & MOs

Info

ID:	68559
PubChem CID:	46508645
Reduced:	O2N4C29H34 (1)
Stoich.:	A2B4C29D34 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-17.41
Dipole, Da:	3.16
IP(EA), eV:	-8.44(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(cyclohexylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN(C)C(C)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations