Geometry & MOs

Info

ID:	318581
PubChem CID:	126652106
Reduced:	FN2O2C20H31 (1)
Stoich.:	AB2C2D20E31 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	-167.35
Dipole, Da:	2.31
IP(EA), eV:	-8.24(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopropylamino)-2-fluorophenyl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)NC(C)C)F)C2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations