Geometry & MOs

Info

ID:	266560
PubChem CID:	103571167
Reduced:	N6C13H14 (1)
Stoich.:	A6B13C14 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	104.64
Dipole, Da:	6.43
IP(EA), eV:	-8.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(1-ethylpyrazol-4-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=CN=CN2C3=CN=C(C=C3)N

DOS

IR

Vibrations