Geometry & MOs

Info

ID:	382770
PubChem CID:	134974103
Reduced:	BrN2O2C22H31 (1)
Stoich.:	AB2C2D22E31 (1)
Weight, g/mol:	344.237825
ΔH_f, kcal/mol:	-81.17
Dipole, Da:	5.17
IP(EA), eV:	-8.49(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(Z)-[(4aR,9aR)-2,3,4,4a,9,9a-hexahydrofluoren-1-ylidene]methyl]-(1-phenylpentyl)azanide

Drug info:

PubChemData

Smile

CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations