Geometry & MOs

Info

ID:	328051
PubChem CID:	126691880
Reduced:	N5O5F6H29C36 (1)
Stoich.:	A5B5C6D29E36 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	-394.07
Dipole, Da:	7.31
IP(EA), eV:	-9.41(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-butyl-4-methylphenyl)-N-methylformamide

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C4=C(C=C(C=C4)C(=O)O)C)OC)N5C=CN=C5C)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations