Geometry & MOs

Info

ID:	203133
PubChem CID:	79783351
Reduced:	ClINOH15C17 (1)
Stoich.:	ABCDE15F17 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	6.76
Dipole, Da:	2.9
IP(EA), eV:	-9.03(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(2-methylphenyl)methoxy]pyridin-2-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)I)N(C(=O)C1)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations