Geometry & MOs

Info

ID:	255252
PubChem CID:	103130917
Reduced:	SN3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	16.28
Dipole, Da:	3.88
IP(EA), eV:	-8.21(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CNC(CSC1CCCCC1)C2=NN(C=C2)C

DOS

IR

Vibrations