Geometry & MOs

Info

ID:	447030
PubChem CID:	135279666
Reduced:	ON7C33H49 (1)
Stoich.:	AB7C33D49 (1)
Weight, g/mol:	220.123008
ΔH_f, kcal/mol:	-25.16
Dipole, Da:	5.94
IP(EA), eV:	-8.58(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-4-methyl-2-(2-methylpropyl)pentanoate

Drug info:

PubChemData

Smile

CCCCC(CC)N1CCC(CC1)C2=CC(=C(C=C2C)C=N)NC3=CC(=NC(=N3)C)N4CCC5(CCC(=O)N5)CC4

DOS

IR

Vibrations