Geometry & MOs

Info

ID:	343892
PubChem CID:	127267068
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	310.215747
ΔH_f, kcal/mol:	-105.92
Dipole, Da:	4.64
IP(EA), eV:	-8.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CN1C=C(C2=CC=CC=C2C1=O)C(=O)N(C)C

DOS

IR

Vibrations