Geometry & MOs

Info

ID:	354279
PubChem CID:	127286243
Reduced:	OSN4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	14.36
Dipole, Da:	6.34
IP(EA), eV:	-8.64(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC2=NC=CC=N2)NC(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations