Geometry & MOs

Info

ID:	327923
PubChem CID:	126691378
Reduced:	ClON6C21H23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	55.12
Dipole, Da:	2.03
IP(EA), eV:	-9.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropyl)-2-methoxy-3-prop-1-enylbenzene

Drug info:

PubChemData

Smile

CC[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Cl)CN5C=C(N=N5)C

DOS

IR

Vibrations