Geometry & MOs

Info

ID:	282242
PubChem CID:	103920033
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-71.95
Dipole, Da:	5.51
IP(EA), eV:	-9.42(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethylbenzamide

Drug info:

PubChemData

Smile

CCC1=NN(C=C1C(=O)N[C@H](CC)CO)C

DOS

IR

Vibrations