Geometry & MOs

Info

ID:	69936
PubChem CID:	47205812
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-53.75
Dipole, Da:	4.49
IP(EA), eV:	-10.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-bromophenyl)methyl-methylamino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NCC1=CC(=CC=C1)C#N

DOS

IR

Vibrations