Geometry & MOs

Info

ID:	69937
PubChem CID:	47205833
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	305.140927
ΔH_f, kcal/mol:	-79.14
Dipole, Da:	0.98
IP(EA), eV:	-9.61(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)N(C)CC1=CC=C(C=C1)Br

DOS

IR

Vibrations