Geometry & MOs

Info

ID:	359251
PubChem CID:	127297775
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	394.180504
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	5.72
IP(EA), eV:	-8.73(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyano-3-fluorophenyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCCN2C(=O)NCC3CCOC4=CC=CC=C34

DOS

IR

Vibrations