Geometry & MOs

Info

ID:	281693
PubChem CID:	103914226
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	327.05824
ΔH_f, kcal/mol:	-115.27
Dipole, Da:	3.6
IP(EA), eV:	-9.58(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(C1=CC=CO1)O

DOS

IR

Vibrations