Geometry & MOs

Info

ID:	198823
PubChem CID:	79156551
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-46.71
Dipole, Da:	3.75
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]pyridin-2-yl]methanamine

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NCC2=C(C=CC(=N2)C)O

DOS

IR

Vibrations