Geometry & MOs

Info

ID:	364637
PubChem CID:	127315932
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-117.34
Dipole, Da:	3.92
IP(EA), eV:	-8.88(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)(C)C)C(=O)C2COC3=CC=CC=C23

DOS

IR

Vibrations