Geometry & MOs

Info

ID:	134804
PubChem CID:	51759232
Reduced:	N3O5C30H43 (1)
Stoich.:	A3B5C30D43 (1)
Weight, g/mol:	436.272593
ΔH_f, kcal/mol:	-162.12
Dipole, Da:	6.35
IP(EA), eV:	-9.6(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-hexyl-4-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=CC=C1C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

DOS

IR

Vibrations