Geometry & MOs

Info

ID:	204675
PubChem CID:	79996252
Reduced:	BrNSO2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	275.00918
ΔH_f, kcal/mol:	-38.15
Dipole, Da:	2.39
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-amino-5-bromo-4-methyl-N'-propan-2-ylthiophene-2-carboximidamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C(CN)C2=CC=CC=C2OC)O)Br

DOS

IR

Vibrations