Geometry & MOs

Info

ID:	189470
PubChem CID:	77861828
Reduced:	O5N6C31H38 (1)
Stoich.:	A5B6C31D38 (1)
Weight, g/mol:	212.096793
ΔH_f, kcal/mol:	-178.39
Dipole, Da:	6.06
IP(EA), eV:	-8.73(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-methoxy-4-(2-methylbutyl)benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N=C(N2)C3CCCO3)C(=O)NCC(=O)N4CCC(CC4)N5CCC6=C(C=CC(=C6)C(C)O)NC5=O

DOS

IR

Vibrations