Geometry & MOs

Info

ID:	224632
PubChem CID:	85345444
Reduced:	BNC20H30 (1)
Stoich.:	ABC20D30 (1)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	-6.41
Dipole, Da:	2.14
IP(EA), eV:	-9.24(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-methoxy-N-[(3-nitrophenyl)methyl]propanamide

Drug info:

PubChemData

Smile

[B-]12(CCCC3=[N+]1CC4C3C5CC4C=C5)C6CCCC2CCC6

DOS

IR

Vibrations