Geometry & MOs

Info

ID:	260131
PubChem CID:	103182286
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	253.157898
ΔH_f, kcal/mol:	29.72
Dipole, Da:	4.69
IP(EA), eV:	-8.23(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dihydroisoindol-2-ylmethyl)-3,5-dimethylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)CC2=NC=C(C(=C2C)N)C

DOS

IR

Vibrations