Geometry & MOs

Info

ID:	224699
PubChem CID:	85346955
Reduced:	CrON2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	442.269239
ΔH_f, kcal/mol:	159.48
Dipole, Da:	6.47
IP(EA), eV:	-7.19(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[4-(methoxymethyl)-6-methylpyrimidin-2-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethyl butanoate

Drug info:

PubChemData

Smile

CC1C(N(C(=O)N1C)C(=[Cr])C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations