Geometry & MOs

Info

ID:	77859
PubChem CID:	49665783
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	57.88
Dipole, Da:	3.42
IP(EA), eV:	-8.72(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3-methylpyrazol-1-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CN=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations