Geometry & MOs

Info

ID:	345381
PubChem CID:	127269681
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-80.68
Dipole, Da:	2.5
IP(EA), eV:	-8.09(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclohexylacetyl)-N-(3,4-dihydro-2H-chromen-6-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)NC2=CC3=C(C=C2)OCCC3

DOS

IR

Vibrations