Geometry & MOs

Info

ID:	373272
PubChem CID:	131312477
Reduced:	NOF2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	213.09652
ΔH_f, kcal/mol:	-130.17
Dipole, Da:	4.15
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-amino(cyclopropyl)methyl]-3-(difluoromethyl)phenol

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C2=C(C=CC=C2O)C(F)F

DOS

IR

Vibrations