Geometry & MOs

Info

ID:	373302
PubChem CID:	131312949
Reduced:	BrNOF3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	213.09652
ΔH_f, kcal/mol:	-190.31
Dipole, Da:	2.62
IP(EA), eV:	-9.91(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CN=C1C)CBr)OC(F)(F)F

DOS

IR

Vibrations