Geometry & MOs

Info

ID:	206095
PubChem CID:	80202120
Reduced:	BrN2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	318.07316
ΔH_f, kcal/mol:	47.3
Dipole, Da:	3.58
IP(EA), eV:	-9.28(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromopyridin-3-yl)-(3,5-dimethylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC(=C1)C)C2=CC(=CN=C2)Br

DOS

IR

Vibrations