Geometry & MOs

Info

ID:	206421
PubChem CID:	80249496
Reduced:	BrNSC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	236.109568
ΔH_f, kcal/mol:	34.09
Dipole, Da:	2.06
IP(EA), eV:	-8.91(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-3-N-[(4-methylthiophen-3-yl)methyl]pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)Br)NCC2=C(C=CS2)C

DOS

IR

Vibrations