Geometry & MOs

Info

ID:	394840
PubChem CID:	135023922
Reduced:	SO4N6C21H26 (1)
Stoich.:	AB4C6D21E26 (1)
Weight, g/mol:	205.195626
ΔH_f, kcal/mol:	-107.12
Dipole, Da:	7.54
IP(EA), eV:	-9.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexene

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCC3=CN(N=N3)CC4=CC=C(C=C4)C(=O)O)NC(=O)N2

DOS

IR

Vibrations