Geometry & MOs

Info

ID:	172546
PubChem CID:	75524299
Reduced:	BrIO2N3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	59.21
Dipole, Da:	3.86
IP(EA), eV:	-9.0(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylamino]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-])I

DOS

IR

Vibrations