Geometry & MOs

Info

ID:	255493
PubChem CID:	103132459
Reduced:	N2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	207.173548
ΔH_f, kcal/mol:	27.2
Dipole, Da:	4.05
IP(EA), eV:	-9.07(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-2-(1-methylpyrazol-3-yl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

C1CCC(C(CC1)C2=CC=CC3=C2C=NC=C3)CN

DOS

IR

Vibrations