Geometry & MOs

Info

ID:	365389
PubChem CID:	127317788
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-90.84
Dipole, Da:	5.62
IP(EA), eV:	-8.09(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations