Geometry & MOs

Info

ID:	160523
PubChem CID:	57309871
Reduced:	BrN2O2C21H27 (1)
Stoich.:	AB2C2D21E27 (1)
Weight, g/mol:	296.200097
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	5.08
IP(EA), eV:	-9.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-phenyl-2-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,3-diamine

Drug info:

PubChemData

Smile

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(C)C(C(=O)O)Br

DOS

IR

Vibrations