Geometry & MOs

Info

ID:	256004
PubChem CID:	103136271
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-40.09
Dipole, Da:	2.96
IP(EA), eV:	-8.96(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=C(C(=N2)C)CN)C

DOS

IR

Vibrations