Geometry & MOs

Info

ID:	171777
PubChem CID:	75426090
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	-99.15
Dipole, Da:	4.41
IP(EA), eV:	-8.47(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-methoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NCCCO

DOS

IR

Vibrations