Geometry & MOs

Info

ID:	421603
PubChem CID:	135116287
Reduced:	O3N6C18H20 (1)
Stoich.:	A3B6C18D20 (1)
Weight, g/mol:	327.231063
ΔH_f, kcal/mol:	21.11
Dipole, Da:	1.63
IP(EA), eV:	-9.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[propyl-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC=C(C=C3)C4=NN(N=N4)C

DOS

IR

Vibrations