Geometry & MOs

Info

ID:	345335
PubChem CID:	127269611
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-104.83
Dipole, Da:	5.08
IP(EA), eV:	-8.25(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)NC3CCN(CC3)C(=O)C4CC4)OC1

DOS

IR

Vibrations