Geometry & MOs

Info

ID:	131473
PubChem CID:	51210884
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	357.114713
ΔH_f, kcal/mol:	-31.08
Dipole, Da:	2.46
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(oxolan-2-ylmethylsulfanyl)benzoyl]pyridine-3-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)CC(=O)NNC(=O)C2=CN=CC=C2

DOS

IR

Vibrations