Geometry & MOs

Info

ID:	145877
PubChem CID:	53606187
Reduced:	BrN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-50.12
Dipole, Da:	1.4
IP(EA), eV:	-9.1(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)-N-prop-2-ynylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)NCCCN2C=CC=CC2=O)Br

DOS

IR

Vibrations