Geometry & MOs

Info

ID:	159429
PubChem CID:	57280141
Reduced:	NO2C11H20 (2)
Stoich.:	AB2C11D20 (2)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-248.61
Dipole, Da:	4.66
IP(EA), eV:	-9.6(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)butanamide

Drug info:

PubChemData

Smile

CC(C)C[C@H]1[C@@H](OC(N1C(=O)OC(C)(C)C)(C)C)C=C(C)C(=O)NCC(C)C

DOS

IR

Vibrations