Geometry & MOs

Info

ID:	195331
PubChem CID:	78673861
Reduced:	BrON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	419.12084
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	3.73
IP(EA), eV:	-9.0(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NCCCNC(=O)C1=CC(=CC=C1)Br

DOS

IR

Vibrations