Geometry & MOs

Info

ID:	367616
PubChem CID:	127325106
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-88.53
Dipole, Da:	4.22
IP(EA), eV:	-9.19(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)C(=O)NC2CCCCC2)C3=CN=CC=C3

DOS

IR

Vibrations