Geometry & MOs

Info

ID:	255828
PubChem CID:	103134968
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-46.92
Dipole, Da:	1.96
IP(EA), eV:	-8.32(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyloxolan-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN(CC2=CC=CC=C2N)C(C)C

DOS

IR

Vibrations