Geometry & MOs

Info

ID:	440654
PubChem CID:	135230788
Reduced:	FO5N7C25H32 (1)
Stoich.:	AB5C7D25E32 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	-120.05
Dipole, Da:	7.75
IP(EA), eV:	-8.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxypropan-2-yl)phenyl]methanediol

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC(NC)O)C2=CC=CC=C2)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=NC=C4)F)CCOC

DOS

IR

Vibrations