Geometry & MOs

Info

ID:	440552
PubChem CID:	135230549
Reduced:	FO4N7C28H36 (1)
Stoich.:	AB4C7D28E36 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-89.34
Dipole, Da:	8.91
IP(EA), eV:	-8.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol

Drug info:

PubChemData

Smile

CC1=C(N(N=C1N2CCN(C(C2)O)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC=C(C=C5)F)CCOC

DOS

IR

Vibrations