Geometry & MOs

Info

ID:	255463
PubChem CID:	103132253
Reduced:	N5C14H21 (1)
Stoich.:	A5B14C21 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	49.99
Dipole, Da:	3.63
IP(EA), eV:	-8.76(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)C2=NN(C=C2)C)C(C)C

DOS

IR

Vibrations