Geometry & MOs

Info

ID:	294825
PubChem CID:	117498643
Reduced:	BrON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	313.122655
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	2.46
IP(EA), eV:	-8.8(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C(=C1)O)CN2CCNCC2)Br

DOS

IR

Vibrations