Geometry & MOs

Info

ID:	417719
PubChem CID:	135102553
Reduced:	O3N5C29H35 (1)
Stoich.:	A3B5C29D35 (1)
Weight, g/mol:	337.167794
ΔH_f, kcal/mol:	20.85
Dipole, Da:	4.65
IP(EA), eV:	-8.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-(9H-fluoren-9-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN2CCC13CCN(CC3)C(=O)CC4=CC=C(C=C4)OCCN5C=C(COC6=CC=CC(=C6)C2)N=N5

DOS

IR

Vibrations