Geometry & MOs

Info

ID:	280920
PubChem CID:	103851950
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-77.57
Dipole, Da:	4.79
IP(EA), eV:	-9.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C)(C)CNCC1=CC=CC=C1C#N

DOS

IR

Vibrations