Geometry & MOs

Info

ID:	256003
PubChem CID:	103136270
Reduced:	SN2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	25.86
Dipole, Da:	3.42
IP(EA), eV:	-8.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC2=C1C=NC=C2)C3(CCCS3)C

DOS

IR

Vibrations