Geometry & MOs

Info

ID:	62752
PubChem CID:	26736624
Reduced:	OSN2C23H24 (1)
Stoich.:	ABC2D23E24 (1)
Weight, g/mol:	415.249787
ΔH_f, kcal/mol:	30.73
Dipole, Da:	4.21
IP(EA), eV:	-8.91(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=C(C=CS2)C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations