Geometry & MOs

Info

ID:	436836
PubChem CID:	135212089
Reduced:	N5C22H31 (1)
Stoich.:	A5B22C31 (1)
Weight, g/mol:	368.095947
ΔH_f, kcal/mol:	61.38
Dipole, Da:	3.87
IP(EA), eV:	-7.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[2-(5-amino-4-hydroxycyclohexa-2,4-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol

Drug info:

PubChemData

Smile

CC1=C(CCC1=C)N2CCC3(C2=C)CCC(CC3)NCC4=NN=C(C=C4)N

DOS

IR

Vibrations