Geometry & MOs

Info

ID:	175167
PubChem CID:	75863492
Reduced:	O2F3N3C21H29 (1)
Stoich.:	A2B3C3D21E29 (1)
Weight, g/mol:	415.10212
ΔH_f, kcal/mol:	-216.25
Dipole, Da:	7.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.834846
Charge, e:	1

Chem-info

IUPAC name:

N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)[NH+]2CCC(CC2)C(=O)NC3CCCCC3

DOS

IR

Vibrations