Geometry & MOs

Info

ID:	222624
PubChem CID:	85305638
Reduced:	N4O5C18H30 (1)
Stoich.:	A4B5C18D30 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-243.89
Dipole, Da:	4.42
IP(EA), eV:	-9.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-benzyl-2-methylpiperazin-1-yl)pyrimidin-2-yl]ethyl butanoate

Drug info:

PubChemData

Smile

CC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CN(C=N1)C(=O)OC(C)(C)C)N

DOS

IR

Vibrations