Geometry & MOs

Info

ID:	364611
PubChem CID:	127315863
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-102.32
Dipole, Da:	3.68
IP(EA), eV:	-8.81(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylmorpholin-4-yl)-(1,3-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1(COCCN1C(=O)C2COC3=CC=CC=C23)C

DOS

IR

Vibrations