Geometry & MOs

Info

ID:	182494
PubChem CID:	76894256
Reduced:	BrON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-42.4
Dipole, Da:	3.7
IP(EA), eV:	-9.28(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(3-methylbutyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CCCC1C2=CC(=CC=C2)Br)N

DOS

IR

Vibrations