Geometry & MOs

Info

ID:	424442
PubChem CID:	135122700
Reduced:	NO5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-177.67
Dipole, Da:	3.74
IP(EA), eV:	-9.39(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-methyl-4-[(4-methylbenzoyl)amino]butan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

COCCOCCOCCOCCN(CC=C)C(=O)C=C

DOS

IR

Vibrations