Geometry & MOs

Info

ID:	255377
PubChem CID:	103131667
Reduced:	N3C14H19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	53.23
Dipole, Da:	2.94
IP(EA), eV:	-8.68(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-dimethoxy-2-(1-methylpyrazol-3-yl)phenyl]methanamine

Drug info:

PubChemData

Smile

CCCNCC1=CC=C(C=C1)C2=NN(C=C2)C

DOS

IR

Vibrations