Geometry & MOs

Info

ID:	288185
PubChem CID:	104313246
Reduced:	BrN2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	318.07316
ΔH_f, kcal/mol:	66.62
Dipole, Da:	2.06
IP(EA), eV:	-9.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromopyridin-2-yl)-(3-methylphenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CC1CC2=CC=CC=C12)C3=NC=C(C=C3)Br

DOS

IR

Vibrations