Geometry & MOs

Info

ID:	126199
PubChem CID:	50955308
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	13.65
Dipole, Da:	3.45
IP(EA), eV:	-9.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(N=C2C=C1)C)C)C(=O)NC(C)CC3=NC=CN=C3

DOS

IR

Vibrations