Geometry & MOs

Info

ID:	293691
PubChem CID:	117396750
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-70.35
Dipole, Da:	3.94
IP(EA), eV:	-8.91(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-(methylamino)ethanol

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2C3(CCCC3)N=C=O)O

DOS

IR

Vibrations