Geometry & MOs

Info

ID:	175887
PubChem CID:	75966118
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	398.297351
ΔH_f, kcal/mol:	-149.61
Dipole, Da:	9.04
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-ethylphenyl)-5-hexyl-6a-(1-phenylethenyl)-2,3,3a,4-tetrahydro-1H-pentalene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(C)O)C(C)C)O

DOS

IR

Vibrations