Geometry & MOs

Info

ID:	311877
PubChem CID:	126598685
Reduced:	N5H45C54 (1)
Stoich.:	A5B45C54 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	205.71
Dipole, Da:	2.42
IP(EA), eV:	-7.82(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxyethenoxy)-4-methylcyclohexane

Drug info:

PubChemData

Smile

CC1(C2=C(C=C3C(=C2)C4=C(N3C5=CC=CC(=C5)C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C9C(=C4)C2=CC=CC=C2N9C2=CC=CC=C2)C(C1(C)C)(C)C)C

DOS

IR

Vibrations