Geometry & MOs

Info

ID:	263814
PubChem CID:	103400617
Reduced:	ClOSN2C15H15 (1)
Stoich.:	ABCD2E15F15 (1)
Weight, g/mol:	303.059696
ΔH_f, kcal/mol:	-6.96
Dipole, Da:	2.12
IP(EA), eV:	-8.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(C2=CC3=C(C=C2)N(C(=O)C3)C)N

DOS

IR

Vibrations