Geometry & MOs

Info

ID:	350727
PubChem CID:	127279015
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-75.92
Dipole, Da:	4.75
IP(EA), eV:	-9.41(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC3=C(COC3)C=C2)C

DOS

IR

Vibrations