Geometry & MOs

Info

ID:	266833
PubChem CID:	103579710
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	344.06366
ΔH_f, kcal/mol:	-77.58
Dipole, Da:	3.38
IP(EA), eV:	-8.45(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,5-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC(=O)N2CCOCC2

DOS

IR

Vibrations