Geometry & MOs

Info

ID:	276517
PubChem CID:	103824049
Reduced:	BrN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	162.115698
ΔH_f, kcal/mol:	-11.21
Dipole, Da:	3.99
IP(EA), eV:	-8.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-5-methylpyridin-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)NCC2=CC3=C(C=C2Br)OCO3

DOS

IR

Vibrations