Geometry & MOs

Info

ID:	255120
PubChem CID:	103130116
Reduced:	F2N2O3C14H16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-172.2
Dipole, Da:	8.15
IP(EA), eV:	-8.95(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)phenyl]-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(C2=NN(C=C2)C)O)OC(F)F

DOS

IR

Vibrations