Geometry & MOs

Info

ID:	159165
PubChem CID:	57264279
Reduced:	O6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	415.214744
ΔH_f, kcal/mol:	-234.93
Dipole, Da:	6.64
IP(EA), eV:	-9.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[bis(4-hydroxyphenyl)methyl]phenyl]methyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C[C@]12CC([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CC(=O)C4=CC(=O)C=C[C@]34C)O

DOS

IR

Vibrations