Geometry & MOs

Info

ID:	200636
PubChem CID:	79418853
Reduced:	OH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	289.044046
ΔH_f, kcal/mol:	-8.46
Dipole, Da:	4.18
IP(EA), eV:	-9.27(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorothiophen-2-yl)methyl]-4-(1H-pyrazol-5-yl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CC#CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations