Geometry & MOs

Info

ID:	236474
PubChem CID:	92713369
Reduced:	BrN2O2C19H25 (1)
Stoich.:	AB2C2D19E25 (1)
Weight, g/mol:	392.10994
ΔH_f, kcal/mol:	-66.08
Dipole, Da:	5.15
IP(EA), eV:	-8.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CCCNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2

DOS

IR

Vibrations