Geometry & MOs

Info

ID:	45953
PubChem CID:	10519620
Reduced:	OC23H26 (1)
Stoich.:	AB23C26 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	22.53
Dipole, Da:	0.73
IP(EA), eV:	-8.55(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(tert-butylamino)methyl]-5-cyclohexyl-4-hydroxyphenyl]acetamide

Drug info:

PubChemData

Smile

CC1([C@]2([C@@]1([C@H]3[C@@H]2CCC3)C4=CC=C(C=C4)OC)C5=CC=CC=C5)C

DOS

IR

Vibrations