Geometry & MOs

Info

ID:	281650
PubChem CID:	103914169
Reduced:	BrN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	229.179027
ΔH_f, kcal/mol:	-75.28
Dipole, Da:	2.22
IP(EA), eV:	-9.13(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCCOC1=CC=C(C=C1)Br

DOS

IR

Vibrations