Geometry & MOs

Info

ID:	255307
PubChem CID:	103131270
Reduced:	S2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	26.44
Dipole, Da:	4.35
IP(EA), eV:	-8.42(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylpyridin-2-yl)-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCC1C(SCCS1)C(C2=NN(C=C2)C)NC

DOS

IR

Vibrations