Geometry & MOs

Info

ID:	180982
PubChem CID:	76713531
Reduced:	N3O3C31H49 (1)
Stoich.:	A3B3C31D49 (1)
Weight, g/mol:	329.235479
ΔH_f, kcal/mol:	-138.51
Dipole, Da:	4.22
IP(EA), eV:	-8.81(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetylphenyl)-3-(cyclohexylmethyl)-4-(dimethylamino)butan-1-one

Drug info:

PubChemData

Smile

CNCC(CC1CCCCC1)CC(=O)N2CCCC(C2)C(CCCCOC)(C3=CC=CC4=C3CN=C4)O

DOS

IR

Vibrations