Geometry & MOs

Info

ID:	328186
PubChem CID:	126694823
Reduced:	NOC9H19 (1)
Stoich.:	ABC9D19 (1)
Weight, g/mol:	439.402545
ΔH_f, kcal/mol:	-80.95
Dipole, Da:	3.74
IP(EA), eV:	-9.63(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[1-[(2R)-2-[[2-[(5R)-5-(hydroxymethyl)-6-methylheptyl]cyclopropyl]methyl]-3-methylbutoxy]propan-2-yl]-N-methylpentanamide

Drug info:

PubChemData

Smile

CCC[C@H](C(C)C)C(=O)NC

DOS

IR

Vibrations