Geometry & MOs

Info

ID:	372078
PubChem CID:	131292916
Reduced:	BrN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	218.116761
ΔH_f, kcal/mol:	40.16
Dipole, Da:	4.11
IP(EA), eV:	-8.67(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-1-methylpyrrol-3-yl)-(1,5-dimethylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C#N)C1CC2=C(N1C)C=CC(=C2)Br

DOS

IR

Vibrations