Geometry & MOs

Info

ID:	255293
PubChem CID:	103131203
Reduced:	NC2H3 (5)
Stoich.:	AB2C3 (5)
Weight, g/mol:	235.11209
ΔH_f, kcal/mol:	70.12
Dipole, Da:	5.45
IP(EA), eV:	-8.94(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCNC(C1=NN(C=C1)C)C2=NC=CN2

DOS

IR

Vibrations