Geometry & MOs

Info

ID:	171703
PubChem CID:	75414569
Reduced:	N3O4C15H15 (1)
Stoich.:	A3B4C15D15 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-79.92
Dipole, Da:	8.03
IP(EA), eV:	-9.3(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-2-propan-2-ylsulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCC(=O)NC2=CC=C(C=C2)/C=C/C(=O)O

DOS

IR

Vibrations