Geometry & MOs

Info

ID:	150846
PubChem CID:	53790542
Reduced:	N6O7C33H36 (1)
Stoich.:	A6B7C33D36 (1)
Weight, g/mol:	286.19328
ΔH_f, kcal/mol:	-197.65
Dipole, Da:	10.52
IP(EA), eV:	-9.11(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(3-methoxyphenyl)hex-3-enyl]-3-methylcyclopent-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)N)N(C(=O)[C@H](CC3=CC=CC=C3)N)[C@@](CCCN=C(N)N)(C(=O)O)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations