Geometry & MOs

Info

ID:	368797
PubChem CID:	127330139
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-56.38
Dipole, Da:	3.59
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-chromen-4-yl)-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CC3CCOC4=CC=CC=C34

DOS

IR

Vibrations