Geometry & MOs

Info

ID:	379286
PubChem CID:	134357056
Reduced:	O3N6C20H24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	411.170668
ΔH_f, kcal/mol:	-58.67
Dipole, Da:	2.06
IP(EA), eV:	-7.92(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[5-(5-fluoropyridin-3-yl)pyridin-2-yl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)/C(=C/C=C(\N)/NC(=O)CN2CCCC3=C2C(=O)N(C3=O)C)/N

DOS

IR

Vibrations