Geometry & MOs

Info

ID:	131219
PubChem CID:	51176918
Reduced:	BrON4H13C16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	70.5
Dipole, Da:	3.57
IP(EA), eV:	-9.48(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC(=CN=C3)Br

DOS

IR

Vibrations