Geometry & MOs

Info

ID:	438795
PubChem CID:	135228552
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-63.1
Dipole, Da:	4.31
IP(EA), eV:	-7.93(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-4-acetyl-N-[(E)-2-sulfanylbut-2-enylidene]piperidine-1-carboximidamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=C)OC)C4=CN=C(N=C4)C)C(C)(C)C

DOS

IR

Vibrations